2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one

C14H23N3O2 — CID 136976085

IUPAC2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2(O)CCC(C)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-3-11-16-12(8-13(18)17-11)15-9-14(19)6-4-10(2)5-7-14/h8,10,19H,3-7,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyCBEUGLSFQYBNIA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.69
Rot. Bonds4

About 2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one

2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976085) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976085
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2(O)CCC(C)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-3-11-16-12(8-13(18)17-11)15-9-14(19)6-4-10(2)5-7-14/h8,10,19H,3-7,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyCBEUGLSFQYBNIA-UHFFFAOYSA-N
XLogP1.69
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 137008661
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976098
2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136974286
2-ethyl-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136977181
4-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842253
4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one
CID 137273825
2-ethyl-4-(pent-4-ynylamino)-1H-pyrimidin-6-one
CID 136882486
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848
2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772464
2-ethyl-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one
CID 136975923
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118322

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136976085) is 2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is CCc1nc(NCC2(O)CCC(C)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is CBEUGLSFQYBNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-11-16-12(8-13(18)17-11)15-9-14(19)6-4-10(2)5-7-14/h8,10,19H,3-7,9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).