7-acetyl-3-(2-cyclohexylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C18H27N3O2 — CID 128836975

IUPAC7-acetyl-3-(2-cyclohexylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC(=O)N1CCc2c(ncn(CC(C)C3CCCCC3)c2=O)C1
InChIInChI=1S/C18H27N3O2/c1-13(15-6-4-3-5-7-15)10-21-12-19-17-11-20(14(2)22)9-8-16(17)18(21)23/h12-13,15H,3-11H2,1-2H3
InChIKeyLYZNAGGUQIMSPK-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.36
Rot. Bonds3

About 7-acetyl-3-(2-cyclohexylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

7-acetyl-3-(2-cyclohexylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 128836975) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 7-acetyl-3-(2-cyclohexylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-acetyl-3-(2-cyclohexylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID128836975
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name7-acetyl-3-(2-cyclohexylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC(=O)N1CCc2c(ncn(CC(C)C3CCCCC3)c2=O)C1
InChIInChI=1S/C18H27N3O2/c1-13(15-6-4-3-5-7-15)10-21-12-19-17-11-20(14(2)22)9-8-16(17)18(21)23/h12-13,15H,3-11H2,1-2H3
InChIKeyLYZNAGGUQIMSPK-UHFFFAOYSA-N
XLogP2.36
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-3-(2-cyclohexylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-acetyl-3-(2-cyclohexylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 128836975) is 7-acetyl-3-(2-cyclohexylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-acetyl-3-(2-cyclohexylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-acetyl-3-(2-cyclohexylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CC(=O)N1CCc2c(ncn(CC(C)C3CCCCC3)c2=O)C1.
What is the InChIKey of 7-acetyl-3-(2-cyclohexylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is LYZNAGGUQIMSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(15-6-4-3-5-7-15)10-21-12-19-17-11-20(14(2)22)9-8-16(17)18(21)23/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 7-acetyl-3-(2-cyclohexylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-acetyl-3-(2-cyclohexylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 317.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-3-(2-cyclohexylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 128836975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).