2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C13H18F3N3O — CID 137009787

IUPAC2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCCC(C(F)(F)F)C2)cc(=O)[nH]1
InChIInChI=1S/C13H18F3N3O/c1-8(2)12-17-10(6-11(20)18-12)19-5-3-4-9(7-19)13(14,15)16/h6,8-9H,3-5,7H2,1-2H3,(H,17,18,20)
InChIKeyBRJLXDKKRLPGCL-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.67
Rot. Bonds2

About 2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137009787) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID137009787
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCCC(C(F)(F)F)C2)cc(=O)[nH]1
InChIInChI=1S/C13H18F3N3O/c1-8(2)12-17-10(6-11(20)18-12)19-5-3-4-9(7-19)13(14,15)16/h6,8-9H,3-5,7H2,1-2H3,(H,17,18,20)
InChIKeyBRJLXDKKRLPGCL-UHFFFAOYSA-N
XLogP2.67
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-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

4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136487742
2-piperidin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103142
2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136371585
2-methyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136951448
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957961
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957964
2-ethyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976592
2-cyclopropyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976593
2-propan-2-yl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976595
4-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989920
4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136990017
2-cyclopropyl-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136990018

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 137009787) is 2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is CC(C)c1nc(N2CCCC(C(F)(F)F)C2)cc(=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is BRJLXDKKRLPGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8(2)12-17-10(6-11(20)18-12)19-5-3-4-9(7-19)13(14,15)16/h6,8-9H,3-5,7H2,1-2H3,(H,17,18,20).
What are the key properties of 2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 289.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).