3-cyclopropylpyrido[3,4-d]pyrimidin-4-one

C10H9N3O — CID 102429049

IUPAC3-cyclopropylpyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1C1CC1
InChIInChI=1S/C10H9N3O/c14-10-8-3-4-11-5-9(8)12-6-13(10)7-1-2-7/h3-7H,1-2H2
InChIKeyAOXHEOOBKYLKPQ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.13
Rot. Bonds1

About 3-cyclopropylpyrido[3,4-d]pyrimidin-4-one

3-cyclopropylpyrido[3,4-d]pyrimidin-4-one (PubChem CID 102429049) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-cyclopropylpyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropylpyrido[3,4-d]pyrimidin-4-one
PubChem CID102429049
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name3-cyclopropylpyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1C1CC1
InChIInChI=1S/C10H9N3O/c14-10-8-3-4-11-5-9(8)12-6-13(10)7-1-2-7/h3-7H,1-2H2
InChIKeyAOXHEOOBKYLKPQ-UHFFFAOYSA-N
XLogP1.13
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylpyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropylpyrido[3,4-d]pyrimidin-4-one (CID 102429049) is 3-cyclopropylpyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropylpyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropylpyrido[3,4-d]pyrimidin-4-one is O=c1c2ccncc2ncn1C1CC1.
What is the InChIKey of 3-cyclopropylpyrido[3,4-d]pyrimidin-4-one?
The InChIKey is AOXHEOOBKYLKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-10-8-3-4-11-5-9(8)12-6-13(10)7-1-2-7/h3-7H,1-2H2.
What are the key properties of 3-cyclopropylpyrido[3,4-d]pyrimidin-4-one?
3-cyclopropylpyrido[3,4-d]pyrimidin-4-one has a molecular weight of 187.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylpyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 102429049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).