5-amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one

C12H18F2N4O — CID 177234014

IUPAC5-amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
SMILESCc1nc(NC2CCC(F)(F)CC2)c(N)c(=O)n1C
InChIInChI=1S/C12H18F2N4O/c1-7-16-10(9(15)11(19)18(7)2)17-8-3-5-12(13,14)6-4-8/h8,17H,3-6,15H2,1-2H3
InChIKeyUIWISYKXYINKFK-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.66
Rot. Bonds2

About 5-amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one

5-amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one (PubChem CID 177234014) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
PubChem CID177234014
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name5-amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
SMILESCc1nc(NC2CCC(F)(F)CC2)c(N)c(=O)n1C
InChIInChI=1S/C12H18F2N4O/c1-7-16-10(9(15)11(19)18(7)2)17-8-3-5-12(13,14)6-4-8/h8,17H,3-6,15H2,1-2H3
InChIKeyUIWISYKXYINKFK-UHFFFAOYSA-N
XLogP1.66
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(difluoromethyl)-3-methyl-1-pentyl-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione
CID 135900041
6-(difluoromethyl)-1-hexyl-3-methyl-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione
CID 135900081
6-(Difluoromethyl)-1-hexyl-3-methyl-4,7-dihydropyrimido[5,4-d]pyrimidine-2,8-dione
CID 136633617
2-amino-8-cyclopentyl-6-(2,2-difluoroethylamino)-3H-pteridine-4,7-dione
CID 175788875
6-[(4,4-Difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177233933
6-[(4,4-Difluorocyclohexyl)amino]-2,3-dimethyl-5-nitrosopyrimidin-1-ium-4-one
CID 177233962
5-Bromo-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177234056
8-(4,4-difluorocyclohexyl)-2,3-dimethyl-5H-pteridine-4,6,7-trione
CID 177234070
6-[(4,4-Difluorocyclohexyl)amino]-2,3-dimethyl-5-nitrosopyrimidin-4-one
CID 177233963
4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one
CID 135815600
4-[(2-aminocyclohexyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136807848
5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one
CID 136807856

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one?
The IUPAC name of 5-amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one (CID 177234014) is 5-amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one.
What is the SMILES notation for 5-amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one?
The canonical SMILES for 5-amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one is Cc1nc(NC2CCC(F)(F)CC2)c(N)c(=O)n1C.
What is the InChIKey of 5-amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one?
The InChIKey is UIWISYKXYINKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O/c1-7-16-10(9(15)11(19)18(7)2)17-8-3-5-12(13,14)6-4-8/h8,17H,3-6,15H2,1-2H3.
What are the key properties of 5-amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one?
5-amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one has a molecular weight of 272.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one is sourced from PubChem (CID 177234014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).