6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile

C13H18N4S — CID 114116293

IUPAC6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
SMILESCSC1(CNc2nc(C)cc(C#N)n2)CCCC1
InChIInChI=1S/C13H18N4S/c1-10-7-11(8-14)17-12(16-10)15-9-13(18-2)5-3-4-6-13/h7H,3-6,9H2,1-2H3,(H,15,16,17)
InChIKeyYZNLYYAYNRKWFV-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.74
Rot. Bonds4

About 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile

6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile (PubChem CID 114116293) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
PubChem CID114116293
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
SMILESCSC1(CNc2nc(C)cc(C#N)n2)CCCC1
InChIInChI=1S/C13H18N4S/c1-10-7-11(8-14)17-12(16-10)15-9-13(18-2)5-3-4-6-13/h7H,3-6,9H2,1-2H3,(H,15,16,17)
InChIKeyYZNLYYAYNRKWFV-UHFFFAOYSA-N
XLogP2.74
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552758
6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid
CID 114117674
1-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107543146
5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 107268789
2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 107268896
2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine
CID 114117339
2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383441
4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]pyrimidin-2-amine
CID 103736984
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine
CID 114117809
4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile
CID 114116374

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile (CID 114116293) is 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile is CSC1(CNc2nc(C)cc(C#N)n2)CCCC1.
What is the InChIKey of 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile?
The InChIKey is YZNLYYAYNRKWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10-7-11(8-14)17-12(16-10)15-9-13(18-2)5-3-4-6-13/h7H,3-6,9H2,1-2H3,(H,15,16,17).
What are the key properties of 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile?
6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile has a molecular weight of 262.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 114116293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).