9-methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C14H16F3N3O — CID 86842720

IUPAC9-methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN(C)CCC(F)(F)F)nc12
InChIInChI=1S/C14H16F3N3O/c1-10-4-3-6-20-12(21)8-11(18-13(10)20)9-19(2)7-5-14(15,16)17/h3-4,6,8H,5,7,9H2,1-2H3
InChIKeySQRUAZYRLGKFGM-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.39
Rot. Bonds4

About 9-methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 86842720) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 9-methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID86842720
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name9-methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN(C)CCC(F)(F)F)nc12
InChIInChI=1S/C14H16F3N3O/c1-10-4-3-6-20-12(21)8-11(18-13(10)20)9-19(2)7-5-14(15,16)17/h3-4,6,8H,5,7,9H2,1-2H3
InChIKeySQRUAZYRLGKFGM-UHFFFAOYSA-N
XLogP2.39
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 86842720) is 9-methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN(C)CCC(F)(F)F)nc12.
What is the InChIKey of 9-methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SQRUAZYRLGKFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-10-4-3-6-20-12(21)8-11(18-13(10)20)9-19(2)7-5-14(15,16)17/h3-4,6,8H,5,7,9H2,1-2H3.
What are the key properties of 9-methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 299.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 86842720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).