2-pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

C13H18F3N3O — CID 141392450

IUPAC2-pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESCCCCCc1cc(=O)n2c(n1)NC(C(F)(F)F)CC2
InChIInChI=1S/C13H18F3N3O/c1-2-3-4-5-9-8-11(20)19-7-6-10(13(14,15)16)18-12(19)17-9/h8,10H,2-7H2,1H3,(H,17,18)
InChIKeyRXGJVTLIECGTQP-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.72
Rot. Bonds4

About 2-pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

2-pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 141392450) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID141392450
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESCCCCCc1cc(=O)n2c(n1)NC(C(F)(F)F)CC2
InChIInChI=1S/C13H18F3N3O/c1-2-3-4-5-9-8-11(20)19-7-6-10(13(14,15)16)18-12(19)17-9/h8,10H,2-7H2,1H3,(H,17,18)
InChIKeyRXGJVTLIECGTQP-UHFFFAOYSA-N
XLogP2.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-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-Ethyl-2-(piperidin-1-YL)pyrimidin-4-OL
CID 135573221
2-Heptan-3-yl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 141392448
2-Methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 141392451
2-Octan-3-yl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 154015508
2-(4-Aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 97619980
2-(2-ethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741317
2-[3-(2-ethylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741338
2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741348
2-[Methyl-(1-methyl-piperidin-4-yl)-amino]-6-trifluoromethyl-pyrimidin-4-ol
CID 136741429
2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741433
2-(Difluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 136923910
3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
CID 136962389

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (CID 141392450) is 2-pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is CCCCCc1cc(=O)n2c(n1)NC(C(F)(F)F)CC2.
What is the InChIKey of 2-pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is RXGJVTLIECGTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-2-3-4-5-9-8-11(20)19-7-6-10(13(14,15)16)18-12(19)17-9/h8,10H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
2-pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 289.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 141392450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).