2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine

C13H20ClN3S — CID 114117339

IUPAC2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCSC1(CNc2cc(C)nc(Cl)n2)CCCCC1
InChIInChI=1S/C13H20ClN3S/c1-10-8-11(17-12(14)16-10)15-9-13(18-2)6-4-3-5-7-13/h8H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyOTFPNRRGIVZJAG-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.92
Rot. Bonds4

About 2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine

2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine (PubChem CID 114117339) has the molecular formula C13H20ClN3S and a molecular weight of 285.84 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine
PubChem CID114117339
Molecular FormulaC13H20ClN3S
Molecular Weight285.84 g/mol
Exact Mass285.11
IUPAC Name2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCSC1(CNc2cc(C)nc(Cl)n2)CCCCC1
InChIInChI=1S/C13H20ClN3S/c1-10-8-11(17-12(14)16-10)15-9-13(18-2)6-4-3-5-7-13/h8H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyOTFPNRRGIVZJAG-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine
CID 107268817
6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
CID 114116293
2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762614
6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine
CID 114117809
6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid
CID 114117674
5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117145
6-[(1-methylsulfanylcyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 114116581
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane
CID 142930051
N-[[1-(aminomethyl)cyclohexyl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 103970489
1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842622
2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine
CID 62477966
2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 64911292

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine (CID 114117339) is 2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine is CSC1(CNc2cc(C)nc(Cl)n2)CCCCC1.
What is the InChIKey of 2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine?
The InChIKey is OTFPNRRGIVZJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3S/c1-10-8-11(17-12(14)16-10)15-9-13(18-2)6-4-3-5-7-13/h8H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine?
2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine has a molecular weight of 285.84 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 114117339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).