2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one

C15H23N3OS — CID 136762614

IUPAC2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2cc(=O)[nH]c(C3CC3)n2)CCCCC1
InChIInChI=1S/C15H23N3OS/c1-20-15(7-3-2-4-8-15)10-16-12-9-13(19)18-14(17-12)11-5-6-11/h9,11H,2-8,10H2,1H3,(H2,16,17,18,19)
InChIKeyOMAROSMVTUOULK-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.13
Rot. Bonds5

About 2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136762614) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136762614
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2cc(=O)[nH]c(C3CC3)n2)CCCCC1
InChIInChI=1S/C15H23N3OS/c1-20-15(7-3-2-4-8-15)10-16-12-9-13(19)18-14(17-12)11-5-6-11/h9,11H,2-8,10H2,1H3,(H2,16,17,18,19)
InChIKeyOMAROSMVTUOULK-UHFFFAOYSA-N
XLogP3.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136976584
2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976098
1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958612
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid
CID 136972253
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974636
2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine
CID 114117339
2-cyclopropyl-4-[[2-(dimethylamino)-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 136975056
4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973649

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136762614) is 2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one is CSC1(CNc2cc(=O)[nH]c(C3CC3)n2)CCCCC1.
What is the InChIKey of 2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is OMAROSMVTUOULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-20-15(7-3-2-4-8-15)10-16-12-9-13(19)18-14(17-12)11-5-6-11/h9,11H,2-8,10H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 293.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136762614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).