8-[2-(cyclohexen-1-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C16H21N3O — CID 53193739

IUPAC8-[2-(cyclohexen-1-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2c1CCC(=O)N2CCC1=CCCCC1
InChIInChI=1S/C16H21N3O/c1-12-14-7-8-15(20)19(16(14)18-11-17-12)10-9-13-5-3-2-4-6-13/h5,11H,2-4,6-10H2,1H3
InChIKeyBMTBISZHMBENJI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.95
Rot. Bonds3

About 8-[2-(cyclohexen-1-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-[2-(cyclohexen-1-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 53193739) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 8-[2-(cyclohexen-1-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[2-(cyclohexen-1-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID53193739
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name8-[2-(cyclohexen-1-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2c1CCC(=O)N2CCC1=CCCCC1
InChIInChI=1S/C16H21N3O/c1-12-14-7-8-15(20)19(16(14)18-11-17-12)10-9-13-5-3-2-4-6-13/h5,11H,2-4,6-10H2,1H3
InChIKeyBMTBISZHMBENJI-UHFFFAOYSA-N
XLogP2.95
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(cyclohexen-1-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[2-(cyclohexen-1-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 53193739) is 8-[2-(cyclohexen-1-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[2-(cyclohexen-1-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[2-(cyclohexen-1-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1ncnc2c1CCC(=O)N2CCC1=CCCCC1.
What is the InChIKey of 8-[2-(cyclohexen-1-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BMTBISZHMBENJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-14-7-8-15(20)19(16(14)18-11-17-12)10-9-13-5-3-2-4-6-13/h5,11H,2-4,6-10H2,1H3.
What are the key properties of 8-[2-(cyclohexen-1-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-[2-(cyclohexen-1-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 271.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(cyclohexen-1-yl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 53193739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).