6-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpyrimidine-4-carbonitrile

C11H9ClN4S — CID 115143249

IUPAC6-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(N(C)c2ccc(Cl)s2)n1
InChIInChI=1S/C11H9ClN4S/c1-7-14-8(6-13)5-10(15-7)16(2)11-4-3-9(12)17-11/h3-5H,1-2H3
InChIKeyRGKZUVBHLLDLJE-UHFFFAOYSA-N
MW264.74 g/mol
LogP3.14
Rot. Bonds2

About 6-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpyrimidine-4-carbonitrile

6-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpyrimidine-4-carbonitrile (PubChem CID 115143249) has the molecular formula C11H9ClN4S and a molecular weight of 264.74 g/mol. Its IUPAC name is 6-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpyrimidine-4-carbonitrile
PubChem CID115143249
Molecular FormulaC11H9ClN4S
Molecular Weight264.74 g/mol
Exact Mass264.02
IUPAC Name6-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(N(C)c2ccc(Cl)s2)n1
InChIInChI=1S/C11H9ClN4S/c1-7-14-8(6-13)5-10(15-7)16(2)11-4-3-9(12)17-11/h3-5H,1-2H3
InChIKeyRGKZUVBHLLDLJE-UHFFFAOYSA-N
XLogP3.14
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
CID 115143279
2-[[6-[(5-bromothiophen-2-yl)-methylamino]-2-methylpyrimidin-4-yl]amino]acetonitrile
CID 115266792
6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
CID 115143281
2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
CID 115143283
4-N-(5-chlorothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265446
6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
CID 115143439
6-iodo-2-methylpyrimidine-4-carbonitrile
CID 130623670
2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile
CID 115143377
5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile
CID 82244207
N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine
CID 91603998
2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile
CID 83077155
6-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carbonitrile
CID 116857855

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpyrimidine-4-carbonitrile?
The IUPAC name of 6-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpyrimidine-4-carbonitrile (CID 115143249) is 6-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpyrimidine-4-carbonitrile is Cc1nc(C#N)cc(N(C)c2ccc(Cl)s2)n1.
What is the InChIKey of 6-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpyrimidine-4-carbonitrile?
The InChIKey is RGKZUVBHLLDLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4S/c1-7-14-8(6-13)5-10(15-7)16(2)11-4-3-9(12)17-11/h3-5H,1-2H3.
What are the key properties of 6-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpyrimidine-4-carbonitrile?
6-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpyrimidine-4-carbonitrile has a molecular weight of 264.74 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 115143249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).