N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide

C12H10F3N3O2 — CID 18566185

IUPACN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide
SMILESCc1ccn2c(=O)c(NC(=O)C(F)(F)F)c(C)nc2c1
InChIInChI=1S/C12H10F3N3O2/c1-6-3-4-18-8(5-6)16-7(2)9(10(18)19)17-11(20)12(13,14)15/h3-5H,1-2H3,(H,17,20)
InChIKeyBZKYXULLENTHMV-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.81
Rot. Bonds1

About N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide

N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 18566185) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide
PubChem CID18566185
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide
SMILESCc1ccn2c(=O)c(NC(=O)C(F)(F)F)c(C)nc2c1
InChIInChI=1S/C12H10F3N3O2/c1-6-3-4-18-8(5-6)16-7(2)9(10(18)19)17-11(20)12(13,14)15/h3-5H,1-2H3,(H,17,20)
InChIKeyBZKYXULLENTHMV-UHFFFAOYSA-N
XLogP1.81
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide (CID 18566185) is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide is Cc1ccn2c(=O)c(NC(=O)C(F)(F)F)c(C)nc2c1.
What is the InChIKey of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is BZKYXULLENTHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-6-3-4-18-8(5-6)16-7(2)9(10(18)19)17-11(20)12(13,14)15/h3-5H,1-2H3,(H,17,20).
What are the key properties of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide?
N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 285.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 18566185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).