2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one

C12H19N3OS — CID 136778318

IUPAC2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCSC1CCC(Nc2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C12H19N3OS/c1-8-13-11(7-12(16)14-8)15-9-3-5-10(17-2)6-4-9/h7,9-10H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyQCAYTCUYBOISDS-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.16
Rot. Bonds3

About 2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one

2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 136778318) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID136778318
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCSC1CCC(Nc2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C12H19N3OS/c1-8-13-11(7-12(16)14-8)15-9-3-5-10(17-2)6-4-9/h7,9-10H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyQCAYTCUYBOISDS-UHFFFAOYSA-N
XLogP2.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136955900
4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136695137
2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778341
2-methyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one
CID 136956674
4-[(1,1-dioxothian-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136956662
6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
CID 114123922
4-(2-cyclopropylpropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
CID 136870772
4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973804
2-methyl-4-[(2-phenylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 137016326
1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione
CID 136956871
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867
4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136978760

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one (CID 136778318) is 2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one is CSC1CCC(Nc2cc(=O)[nH]c(C)n2)CC1.
What is the InChIKey of 2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is QCAYTCUYBOISDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-13-11(7-12(16)14-8)15-9-3-5-10(17-2)6-4-9/h7,9-10H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one has a molecular weight of 253.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136778318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).