1-(3-amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one

C9H12F3N3O — CID 43752778

IUPAC1-(3-amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(C(CN)C(F)(F)F)c(=O)n1
InChIInChI=1S/C9H12F3N3O/c1-5-3-6(2)15(8(16)14-5)7(4-13)9(10,11)12/h3,7H,4,13H2,1-2H3
InChIKeyNHMMAHMFHQEILK-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.92
Rot. Bonds2

About 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one

1-(3-amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one (PubChem CID 43752778) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one
PubChem CID43752778
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(C(CN)C(F)(F)F)c(=O)n1
InChIInChI=1S/C9H12F3N3O/c1-5-3-6(2)15(8(16)14-5)7(4-13)9(10,11)12/h3,7H,4,13H2,1-2H3
InChIKeyNHMMAHMFHQEILK-UHFFFAOYSA-N
XLogP0.92
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
CID 25169675
1-(4-Amino-1,1,1-trifluorobutan-2-yl)-4,6-dimethylpyrimidin-2-one
CID 43753201
4,6-Dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one
CID 62563288
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-bromo-4,6-dimethylpyrimidin-2-one
CID 81691289
6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848427
6-(methylaminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848429
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-4,6-dimethylpyrimidin-2-one
CID 103366508
1-(2-aminoethyl)-4,6-dimethylpyrimidin-2(1H)-one
CID 1511764
4,6-Dimethyl-1-[2-(methylamino)ethyl]pyrimidin-2-one
CID 61386999
4,6-Dimethyl-1-[2-(propan-2-ylamino)ethyl]pyrimidin-2-one
CID 61387026
4,6-Dimethyl-1-[2-(sulfanylamino)ethyl]pyrimidin-2-one
CID 123478764
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)ethylazanium
CID 7200828

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one (CID 43752778) is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(C(CN)C(F)(F)F)c(=O)n1.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one?
The InChIKey is NHMMAHMFHQEILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5-3-6(2)15(8(16)14-5)7(4-13)9(10,11)12/h3,7H,4,13H2,1-2H3.
What are the key properties of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one?
1-(3-amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one has a molecular weight of 235.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 43752778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).