2-ethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one

C14H24N4O — CID 136958281

IUPAC2-ethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)C2CCC(NC)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-4-12-16-13(9-14(19)17-12)18(3)11-7-5-10(15-2)6-8-11/h9-11,15H,4-8H2,1-3H3,(H,16,17,19)
InChIKeyMBANREKIPIPWHX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.30
Rot. Bonds4

About 2-ethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one

2-ethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one (PubChem CID 136958281) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-ethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
PubChem CID136958281
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-ethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)C2CCC(NC)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-4-12-16-13(9-14(19)17-12)18(3)11-7-5-10(15-2)6-8-11/h9-11,15H,4-8H2,1-3H3,(H,16,17,19)
InChIKeyMBANREKIPIPWHX-UHFFFAOYSA-N
XLogP1.30
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4,4-Difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177233933
2-Amino-6-(cyclohexylamino)pyrimidin-4(1h)-one
CID 135402393
3-[3-(Cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one
CID 55236462
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
2-(2-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699558
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518
4-amino-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 136077756
4-amino-2-(2-aminobutyl)-1H-pyrimidin-6-one
CID 136077823
2-propyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278176
4-(dimethylamino)-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 136314512
2-(1-aminoethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136314515
2-(2-aminoethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136314516

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one (CID 136958281) is 2-ethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one is CCc1nc(N(C)C2CCC(NC)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The InChIKey is MBANREKIPIPWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-12-16-13(9-14(19)17-12)18(3)11-7-5-10(15-2)6-8-11/h9-11,15H,4-8H2,1-3H3,(H,16,17,19).
What are the key properties of 2-ethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
2-ethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).