1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione - CAS 65996-50-1

Name: 1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032874
Product Name:	1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CAS:	65996-50-1
Synonyms:	1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione; 1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

Technical Data

Patents

Computed Properties

IUPAC Name:	1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
Description:	Used for the preparation of pyrazolopyrimidine derivatives or analogs thereof as CCR4 function modulators.
Molecular Weight:	151.12
Molecular Formula:	C6H5N3O2
Canonical SMILES:	C1=CNC2=C1NC(=O)NC2=O
InChI:	InChI=1S/C6H5N3O2/c10-5-4-3(1-2-7-4)8-6(11)9-5/h1-2,7H,(H2,8,9,10,11)
InChI Key:	BSRITDQWGPSXPQ-UHFFFAOYSA-N
Boiling Point:	607.6 °C at 760 mmHg
Density:	1.516 g/cm³
Appearance:	Light yellow solid
LogP:	-0.45550

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Related Functional Groups

Other Pyrimidines

[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[67490-21-5]C16H28N2
2,4,6-Tri-tert-butylpyrimidine
[45867-11-6]C5H4ClN3O2
2-Amino-5-chloro-4-pyrimidinecarboxylic acid

Publication Number	Title	Priority Date
CN-111533746-A	Synthesis method of tofacitinib citrate	20200529
WO-2017205762-A1	Inhibitors of interleukin-1 receptor-associated kinase	20160527
WO-2017205766-A1	Inhibitors of interleukin-1 receptor-associated kinase	20160527
US-2019233431-A1	Thieno-pyrimidine derivatives and uses thereof	20151203
US-10829495-B2	Thieno-pyrimidine derivatives and uses thereof	20151203

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.038176411
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	151.038176411
Rotatable Bond Count:	0
Topological Polar Surface Area:	74
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4