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

C15H26N4O — CID 136958286

IUPAC4-[methyl-[4-(methylamino)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCNC1CCC(N(C)c2cc(=O)[nH]c(C(C)C)n2)CC1
InChIInChI=1S/C15H26N4O/c1-10(2)15-17-13(9-14(20)18-15)19(4)12-7-5-11(16-3)6-8-12/h9-12,16H,5-8H2,1-4H3,(H,17,18,20)
InChIKeyUCNTYOJWTRPLKU-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.86
Rot. Bonds4

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

4-[methyl-[4-(methylamino)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136958286) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[methyl-[4-(methylamino)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[methyl-[4-(methylamino)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136958286
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-[methyl-[4-(methylamino)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCNC1CCC(N(C)c2cc(=O)[nH]c(C(C)C)n2)CC1
InChIInChI=1S/C15H26N4O/c1-10(2)15-17-13(9-14(20)18-15)19(4)12-7-5-11(16-3)6-8-12/h9-12,16H,5-8H2,1-4H3,(H,17,18,20)
InChIKeyUCNTYOJWTRPLKU-UHFFFAOYSA-N
XLogP1.86
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[methyl-[4-(methylamino)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

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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-[methyl-[4-(methylamino)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[methyl-[4-(methylamino)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136958286) is 4-[methyl-[4-(methylamino)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[methyl-[4-(methylamino)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[methyl-[4-(methylamino)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one is CNC1CCC(N(C)c2cc(=O)[nH]c(C(C)C)n2)CC1.
What is the InChIKey of 4-[methyl-[4-(methylamino)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is UCNTYOJWTRPLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10(2)15-17-13(9-14(20)18-15)19(4)12-7-5-11(16-3)6-8-12/h9-12,16H,5-8H2,1-4H3,(H,17,18,20).
What are the key properties of 4-[methyl-[4-(methylamino)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[methyl-[4-(methylamino)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[4-(methylamino)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136958286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).