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

C9H10F3N3O — CID 141392451

IUPAC2-methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2c(n1)NC(C(F)(F)F)CC2
InChIInChI=1S/C9H10F3N3O/c1-5-4-7(16)15-3-2-6(9(10,11)12)14-8(15)13-5/h4,6H,2-3H2,1H3,(H,13,14)
InChIKeyYWKDPVMJSHYWIS-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.30
Rot. Bonds

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

2-methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 141392451) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID141392451
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name2-methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2c(n1)NC(C(F)(F)F)CC2
InChIInChI=1S/C9H10F3N3O/c1-5-4-7(16)15-3-2-6(9(10,11)12)14-8(15)13-5/h4,6H,2-3H2,1H3,(H,13,14)
InChIKeyYWKDPVMJSHYWIS-UHFFFAOYSA-N
XLogP1.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (CID 141392451) is 2-methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is Cc1cc(=O)n2c(n1)NC(C(F)(F)F)CC2.
What is the InChIKey of 2-methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is YWKDPVMJSHYWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-5-4-7(16)15-3-2-6(9(10,11)12)14-8(15)13-5/h4,6H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
2-methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 233.19 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 141392451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).