1-cyclohexyl-3-prop-2-enylpyrido[2,3-d]pyrimidine-2,4-dione

C16H19N3O2 — CID 12766825

IUPAC1-cyclohexyl-3-prop-2-enylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESC=CCn1c(=O)c2cccnc2n(C2CCCCC2)c1=O
InChIInChI=1S/C16H19N3O2/c1-2-11-18-15(20)13-9-6-10-17-14(13)19(16(18)21)12-7-4-3-5-8-12/h2,6,9-10,12H,1,3-5,7-8,11H2
InChIKeyAKCGCQGVHLPAIF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.25
Rot. Bonds3

About 1-cyclohexyl-3-prop-2-enylpyrido[2,3-d]pyrimidine-2,4-dione

1-cyclohexyl-3-prop-2-enylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 12766825) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-prop-2-enylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-prop-2-enylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID12766825
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-cyclohexyl-3-prop-2-enylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESC=CCn1c(=O)c2cccnc2n(C2CCCCC2)c1=O
InChIInChI=1S/C16H19N3O2/c1-2-11-18-15(20)13-9-6-10-17-14(13)19(16(18)21)12-7-4-3-5-8-12/h2,6,9-10,12H,1,3-5,7-8,11H2
InChIKeyAKCGCQGVHLPAIF-UHFFFAOYSA-N
XLogP2.25
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-cyclohexyl-3-prop-2-enylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexyl-3-prop-2-enylpyrido[2,3-d]pyrimidine-2,4-dione (CID 12766825) is 1-cyclohexyl-3-prop-2-enylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-3-prop-2-enylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexyl-3-prop-2-enylpyrido[2,3-d]pyrimidine-2,4-dione is C=CCn1c(=O)c2cccnc2n(C2CCCCC2)c1=O.
What is the InChIKey of 1-cyclohexyl-3-prop-2-enylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is AKCGCQGVHLPAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-11-18-15(20)13-9-6-10-17-14(13)19(16(18)21)12-7-4-3-5-8-12/h2,6,9-10,12H,1,3-5,7-8,11H2.
What are the key properties of 1-cyclohexyl-3-prop-2-enylpyrido[2,3-d]pyrimidine-2,4-dione?
1-cyclohexyl-3-prop-2-enylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 285.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-prop-2-enylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 12766825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).