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

C13H15N3O — CID 39819471

IUPAC3-cyclohexylpyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1C1CCCCC1
InChIInChI=1S/C13H15N3O/c17-13-11-6-7-14-8-12(11)15-9-16(13)10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKeyCNAZDBPWIRAOSR-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.30
Rot. Bonds1

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

3-cyclohexylpyrido[3,4-d]pyrimidin-4-one (PubChem CID 39819471) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-cyclohexylpyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclohexylpyrido[3,4-d]pyrimidin-4-one
PubChem CID39819471
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-cyclohexylpyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1C1CCCCC1
InChIInChI=1S/C13H15N3O/c17-13-11-6-7-14-8-12(11)15-9-16(13)10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKeyCNAZDBPWIRAOSR-UHFFFAOYSA-N
XLogP2.30
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylpyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-cyclohexylpyrido[3,4-d]pyrimidin-4-one (CID 39819471) is 3-cyclohexylpyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclohexylpyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclohexylpyrido[3,4-d]pyrimidin-4-one is O=c1c2ccncc2ncn1C1CCCCC1.
What is the InChIKey of 3-cyclohexylpyrido[3,4-d]pyrimidin-4-one?
The InChIKey is CNAZDBPWIRAOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13-11-6-7-14-8-12(11)15-9-16(13)10-4-2-1-3-5-10/h6-10H,1-5H2.
What are the key properties of 3-cyclohexylpyrido[3,4-d]pyrimidin-4-one?
3-cyclohexylpyrido[3,4-d]pyrimidin-4-one has a molecular weight of 229.28 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 39819471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).