1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

C12H11F3N4O — CID 80654269

IUPAC1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(N)nc(Cn2cc(C(F)(F)F)ccc2=O)n1
InChIInChI=1S/C12H11F3N4O/c1-7-4-9(16)18-10(17-7)6-19-5-8(12(13,14)15)2-3-11(19)20/h2-5H,6H2,1H3,(H2,16,17,18)
InChIKeyQIILVDVVTQWDQP-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.60
Rot. Bonds2

About 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 80654269) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID80654269
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(N)nc(Cn2cc(C(F)(F)F)ccc2=O)n1
InChIInChI=1S/C12H11F3N4O/c1-7-4-9(16)18-10(17-7)6-19-5-8(12(13,14)15)2-3-11(19)20/h2-5H,6H2,1H3,(H2,16,17,18)
InChIKeyQIILVDVVTQWDQP-UHFFFAOYSA-N
XLogP1.60
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 80654269) is 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is Cc1cc(N)nc(Cn2cc(C(F)(F)F)ccc2=O)n1.
What is the InChIKey of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is QIILVDVVTQWDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-7-4-9(16)18-10(17-7)6-19-5-8(12(13,14)15)2-3-11(19)20/h2-5H,6H2,1H3,(H2,16,17,18).
What are the key properties of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 284.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 80654269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).