1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-2-one

C14H13N3O2 — CID 23049020

IUPAC1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-2-one
SMILESCC1(C)C=C(n2cccnc2=O)c2cnccc2O1
InChIInChI=1S/C14H13N3O2/c1-14(2)8-11(17-7-3-5-16-13(17)18)10-9-15-6-4-12(10)19-14/h3-9H,1-2H3
InChIKeyKNQBNJHEJKXDQP-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.70
Rot. Bonds1

About 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-2-one

1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-2-one (PubChem CID 23049020) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-2-one
PubChem CID23049020
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-2-one
SMILESCC1(C)C=C(n2cccnc2=O)c2cnccc2O1
InChIInChI=1S/C14H13N3O2/c1-14(2)8-11(17-7-3-5-16-13(17)18)10-9-15-6-4-12(10)19-14/h3-9H,1-2H3
InChIKeyKNQBNJHEJKXDQP-UHFFFAOYSA-N
XLogP1.70
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-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-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-2-one?
The IUPAC name of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-2-one (CID 23049020) is 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-2-one is CC1(C)C=C(n2cccnc2=O)c2cnccc2O1.
What is the InChIKey of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-2-one?
The InChIKey is KNQBNJHEJKXDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-14(2)8-11(17-7-3-5-16-13(17)18)10-9-15-6-4-12(10)19-14/h3-9H,1-2H3.
What are the key properties of 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-2-one?
1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-2-one has a molecular weight of 255.28 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyrimidin-2-one is sourced from PubChem (CID 23049020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).