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

C12H19N3OS — CID 136730584

IUPAC2-methyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCSC1CCCCC1Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H19N3OS/c1-8-13-11(7-12(16)14-8)15-9-5-3-4-6-10(9)17-2/h7,9-10H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyUWYOCHDGFQUOCA-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.16
Rot. Bonds3

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

2-methyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 136730584) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID136730584
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-methyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCSC1CCCCC1Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H19N3OS/c1-8-13-11(7-12(16)14-8)15-9-5-3-4-6-10(9)17-2/h7,9-10H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyUWYOCHDGFQUOCA-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

2-[2-(propylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64611552
2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64611946
2-methyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723617
4-(6-methylsulfanylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723619
2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723620
2-methyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726598
4-[(3-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730577
2-cyclopropyl-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730578
4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730582
2-ethyl-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730583
4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730587
2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730588

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one (CID 136730584) is 2-methyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one is CSC1CCCCC1Nc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 2-methyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is UWYOCHDGFQUOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-13-11(7-12(16)14-8)15-9-5-3-4-6-10(9)17-2/h7,9-10H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-methyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(2-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-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136730584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).