5-tert-butylpyrido[1,2-c]pyrimidin-1-one

C12H14N2O — CID 176640683

IUPAC5-tert-butylpyrido[1,2-c]pyrimidin-1-one
SMILESCC(C)(C)c1cccn2c(=O)nccc12
InChIInChI=1S/C12H14N2O/c1-12(2,3)9-5-4-8-14-10(9)6-7-13-11(14)15/h4-8H,1-3H3
InChIKeyMFLJIZTYIIQAKE-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.99
Rot. Bonds

About 5-tert-butylpyrido[1,2-c]pyrimidin-1-one

5-tert-butylpyrido[1,2-c]pyrimidin-1-one (PubChem CID 176640683) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-tert-butylpyrido[1,2-c]pyrimidin-1-one.

Molecular Properties

Compound Name5-tert-butylpyrido[1,2-c]pyrimidin-1-one
PubChem CID176640683
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-tert-butylpyrido[1,2-c]pyrimidin-1-one
SMILESCC(C)(C)c1cccn2c(=O)nccc12
InChIInChI=1S/C12H14N2O/c1-12(2,3)9-5-4-8-14-10(9)6-7-13-11(14)15/h4-8H,1-3H3
InChIKeyMFLJIZTYIIQAKE-UHFFFAOYSA-N
XLogP1.99
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-tert-butylpyrido[1,2-c]pyrimidin-1-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 5-tert-butylpyrido[1,2-c]pyrimidin-1-one?
The IUPAC name of 5-tert-butylpyrido[1,2-c]pyrimidin-1-one (CID 176640683) is 5-tert-butylpyrido[1,2-c]pyrimidin-1-one.
What is the SMILES notation for 5-tert-butylpyrido[1,2-c]pyrimidin-1-one?
The canonical SMILES for 5-tert-butylpyrido[1,2-c]pyrimidin-1-one is CC(C)(C)c1cccn2c(=O)nccc12.
What is the InChIKey of 5-tert-butylpyrido[1,2-c]pyrimidin-1-one?
The InChIKey is MFLJIZTYIIQAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-12(2,3)9-5-4-8-14-10(9)6-7-13-11(14)15/h4-8H,1-3H3.
What are the key properties of 5-tert-butylpyrido[1,2-c]pyrimidin-1-one?
5-tert-butylpyrido[1,2-c]pyrimidin-1-one has a molecular weight of 202.26 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylpyrido[1,2-c]pyrimidin-1-one is sourced from PubChem (CID 176640683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).