2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C11H15F3N4O — CID 136741433

IUPAC2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCN1CCC(Nc2nc(C(F)(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C11H15F3N4O/c1-18-4-2-7(3-5-18)15-10-16-8(11(12,13)14)6-9(19)17-10/h6-7H,2-5H2,1H3,(H2,15,16,17,19)
InChIKeyRVQGMPRLADVZIG-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.29
Rot. Bonds2

About 2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136741433) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136741433
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCN1CCC(Nc2nc(C(F)(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C11H15F3N4O/c1-18-4-2-7(3-5-18)15-10-16-8(11(12,13)14)6-9(19)17-10/h6-7H,2-5H2,1H3,(H2,15,16,17,19)
InChIKeyRVQGMPRLADVZIG-UHFFFAOYSA-N
XLogP1.29
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-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

6-Methyl-2-(piperidin-1-yl)pyrimidin-4-ol
CID 135406154
2-(4-Hydroxy-6-trifluoromethyl-pyrimidin-2-ylamino)-1-piperidin-1-yl-ethanone
CID 136048721
2-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 136325827
2-(4-aminopiperidin-1-yl)-6-methylpyrimidin-4(3H)-one dihydrochloride
CID 137017015
2-(3-Aminopiperidin-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137154967
2-[Methyl(piperidin-4-yl)amino]pyrimidin-4-ol
CID 14601273
2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135644916
2-Piperazin-1-yl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 136103243
2-Pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 141392450
2-Methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 141392451
3-Methyl-2-piperazin-1-yl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 97619979
2-(4-Aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 97619980

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136741433) is 2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is CN1CCC(Nc2nc(C(F)(F)F)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is RVQGMPRLADVZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-18-4-2-7(3-5-18)15-10-16-8(11(12,13)14)6-9(19)17-10/h6-7H,2-5H2,1H3,(H2,15,16,17,19).
What are the key properties of 2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 276.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).