2-Iodo-5-methylpyrimidine - CAS 154129-30-3

Catalog:	BB010977
Product Name:	2-Iodo-5-methylpyrimidine
CAS:	154129-30-3
Synonyms:	2-iodo-5-methylpyrimidine; 2-iodo-5-methylpyrimidine

Technical Data

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Computed Properties

IUPAC Name:	2-iodo-5-methylpyrimidine
Description:	2-Iodo-5-methylpyrimidine (CAS# 154129-30-3) is a useful research chemical compound.
Molecular Weight:	220.01
Molecular Formula:	C5H5IN2
Canonical SMILES:	CC1=CN=C(N=C1)I
InChI:	InChI=1S/C5H5IN2/c1-4-2-7-5(6)8-3-4/h2-3H,1H3
InChI Key:	PKPRQEHDJNWUHR-UHFFFAOYSA-N
Boiling Point:	291.3 °C at 760 mmHg
Density:	1.926 g/cm³
LogP:	1.38960

Publication Number	Title	Priority Date
US-2020360353-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
WO-2020190754-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
TW-202102495-A	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
US-10973805-B2	Macrocyclic azolopyridine derivatives as EED and PRC2 modulators	20190315
WO-2016141881-A1	Substituted 2-hydrogen-pyrazole derivative serving as anticancer drug	20150311

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Complexity:	68.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.94975
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.94975
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3