3-Allyl-6-amino-1-ethyluracil - CAS 63981-29-3

Catalog:	BB075179
Product Name:	3-Allyl-6-amino-1-ethyluracil
CAS:	63981-29-3
Synonyms:	6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione; Uracil, 1-allyl-6-amino-3-ethyl- mixed with 3-allyl-6-amino-1-ethyluracil (4:1); Uracil, 1-allyl-6-amino-3-ethyl-mixed with 3-allyl-6-amino-1-ethyluracil (4:1); 3-Allyl-6-amino-1-ethylpyrimidine-2,4(1H,3H)-dione; 3-Allyl-6-amino-1-ethyluracil

Technical Data

Computed Properties

IUPAC Name:	6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione
Molecular Weight:	195.22
Molecular Formula:	C9H13N3O2
Canonical SMILES:	CCN1C(=CC(=O)N(C1=O)CC=C)N
InChI:	InChI=1S/C9H13N3O2/c1-3-5-12-8(13)6-7(10)11(4-2)9(12)14/h3,6H,1,4-5,10H2,2H3
InChI Key:	VQHXZPNWCYIWNV-UHFFFAOYSA-N

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Complexity:	309
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.100776666
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.100776666
Rotatable Bond Count:	3
Topological Polar Surface Area:	66.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1