2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C9H8F3N3O — CID 14916841

IUPAC2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc2c(c(C(F)(F)F)n1)CCC(=O)N2
InChIInChI=1S/C9H8F3N3O/c1-4-13-7(9(10,11)12)5-2-3-6(16)15-8(5)14-4/h2-3H2,1H3,(H,13,14,15,16)
InChIKeyJKWBEGVIOLLUJB-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.69
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 14916841) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID14916841
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc2c(c(C(F)(F)F)n1)CCC(=O)N2
InChIInChI=1S/C9H8F3N3O/c1-4-13-7(9(10,11)12)5-2-3-6(16)15-8(5)14-4/h2-3H2,1H3,(H,13,14,15,16)
InChIKeyJKWBEGVIOLLUJB-UHFFFAOYSA-N
XLogP1.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 14916841) is 2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is Cc1nc2c(c(C(F)(F)F)n1)CCC(=O)N2.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JKWBEGVIOLLUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c1-4-13-7(9(10,11)12)5-2-3-6(16)15-8(5)14-4/h2-3H2,1H3,(H,13,14,15,16).
What are the key properties of 2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 231.18 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 14916841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).