4-[(4-aminocyclohexyl)-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C14H24N4O — CID 136958268

IUPAC4-[(4-aminocyclohexyl)-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(C)C2CCC(N)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-9(2)14-16-12(8-13(19)17-14)18(3)11-6-4-10(15)5-7-11/h8-11H,4-7,15H2,1-3H3,(H,16,17,19)
InChIKeySEQQMKKGPKFAIM-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.60
Rot. Bonds3

About 4-[(4-aminocyclohexyl)-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(4-aminocyclohexyl)-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136958268) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136958268
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[(4-aminocyclohexyl)-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(C)C2CCC(N)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-9(2)14-16-12(8-13(19)17-14)18(3)11-6-4-10(15)5-7-11/h8-11H,4-7,15H2,1-3H3,(H,16,17,19)
InChIKeySEQQMKKGPKFAIM-UHFFFAOYSA-N
XLogP1.60
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.60
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-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
4-amino-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 136077756
4-(dimethylamino)-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 136314512
4-(dimethylamino)-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 136314513
2-(1-aminoethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136314515
4-amino-2-(4-aminocyclohexyl)-1H-pyrimidin-6-one
CID 136323095
4-(dimethylamino)-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136345065
4-(dimethylamino)-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 136345066
4-(dimethylamino)-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 136345067
2-(3-aminopropyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136345068
2-(1-aminoethyl)-4-(azepan-1-yl)-1H-pyrimidin-6-one
CID 136345069

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-aminocyclohexyl)-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136958268) is 4-[(4-aminocyclohexyl)-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-aminocyclohexyl)-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-aminocyclohexyl)-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N(C)C2CCC(N)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(4-aminocyclohexyl)-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is SEQQMKKGPKFAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9(2)14-16-12(8-13(19)17-14)18(3)11-6-4-10(15)5-7-11/h8-11H,4-7,15H2,1-3H3,(H,16,17,19).
What are the key properties of 4-[(4-aminocyclohexyl)-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(4-aminocyclohexyl)-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136958268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).