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

C14H13N3O2 — CID 23049105

IUPAC3-(2,2-dimethylpyrano[3,2-b]pyridin-4-yl)pyrimidin-4-one
SMILESCC1(C)C=C(n2cnccc2=O)c2ncccc2O1
InChIInChI=1S/C14H13N3O2/c1-14(2)8-10(17-9-15-7-5-12(17)18)13-11(19-14)4-3-6-16-13/h3-9H,1-2H3
InChIKeyDZQKLVLJWOQKKV-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.70
Rot. Bonds1

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

3-(2,2-dimethylpyrano[3,2-b]pyridin-4-yl)pyrimidin-4-one (PubChem CID 23049105) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-(2,2-dimethylpyrano[3,2-b]pyridin-4-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylpyrano[3,2-b]pyridin-4-yl)pyrimidin-4-one
PubChem CID23049105
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-(2,2-dimethylpyrano[3,2-b]pyridin-4-yl)pyrimidin-4-one
SMILESCC1(C)C=C(n2cnccc2=O)c2ncccc2O1
InChIInChI=1S/C14H13N3O2/c1-14(2)8-10(17-9-15-7-5-12(17)18)13-11(19-14)4-3-6-16-13/h3-9H,1-2H3
InChIKeyDZQKLVLJWOQKKV-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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpyrano[3,2-b]pyridin-4-yl)pyrimidin-4-one?
The IUPAC name of 3-(2,2-dimethylpyrano[3,2-b]pyridin-4-yl)pyrimidin-4-one (CID 23049105) is 3-(2,2-dimethylpyrano[3,2-b]pyridin-4-yl)pyrimidin-4-one.
What is the SMILES notation for 3-(2,2-dimethylpyrano[3,2-b]pyridin-4-yl)pyrimidin-4-one?
The canonical SMILES for 3-(2,2-dimethylpyrano[3,2-b]pyridin-4-yl)pyrimidin-4-one is CC1(C)C=C(n2cnccc2=O)c2ncccc2O1.
What is the InChIKey of 3-(2,2-dimethylpyrano[3,2-b]pyridin-4-yl)pyrimidin-4-one?
The InChIKey is DZQKLVLJWOQKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-14(2)8-10(17-9-15-7-5-12(17)18)13-11(19-14)4-3-6-16-13/h3-9H,1-2H3.
What are the key properties of 3-(2,2-dimethylpyrano[3,2-b]pyridin-4-yl)pyrimidin-4-one?
3-(2,2-dimethylpyrano[3,2-b]pyridin-4-yl)pyrimidin-4-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 3-(2,2-dimethylpyrano[3,2-b]pyridin-4-yl)pyrimidin-4-one is sourced from PubChem (CID 23049105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).