4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile

C13H12N4S — CID 63886379

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
SMILESCc1cc(C)nc(SCc2ccnc(C#N)c2)n1
InChIInChI=1S/C13H12N4S/c1-9-5-10(2)17-13(16-9)18-8-11-3-4-15-12(6-11)7-14/h3-6H,8H2,1-2H3
InChIKeyUMUCRESUZULUFV-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.65
Rot. Bonds3

About 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile

4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile (PubChem CID 63886379) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
PubChem CID63886379
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
SMILESCc1cc(C)nc(SCc2ccnc(C#N)c2)n1
InChIInChI=1S/C13H12N4S/c1-9-5-10(2)17-13(16-9)18-8-11-3-4-15-12(6-11)7-14/h3-6H,8H2,1-2H3
InChIKeyUMUCRESUZULUFV-UHFFFAOYSA-N
XLogP2.65
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-tert-butylphenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63884637
4-[(4-bromophenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63884833
4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63881760
4-[(2-amino-5-methylphenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 79142072
4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 106922512
4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63885408
4-[(3-amino-2-methylphenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 79143782
4-(propylsulfanylmethyl)pyridine-2-carbonitrile
CID 63884249
4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 134244020
4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63885602
4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 63885411
2-benzylsulfanyl-4,6-dimethylpyrimidine
CID 716895

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile (CID 63886379) is 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile is Cc1cc(C)nc(SCc2ccnc(C#N)c2)n1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile?
The InChIKey is UMUCRESUZULUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-9-5-10(2)17-13(16-9)18-8-11-3-4-15-12(6-11)7-14/h3-6H,8H2,1-2H3.
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile?
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile has a molecular weight of 256.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63886379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).