cyclohex-3-en-1-yl(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

C14H17N3O — CID 72719435

IUPACcyclohex-3-en-1-yl(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCc2ncncc2C1
InChIInChI=1S/C14H17N3O/c18-14(11-4-2-1-3-5-11)17-7-6-13-12(9-17)8-15-10-16-13/h1-2,8,10-11H,3-7,9H2
InChIKeyABZVFHSRAKZADU-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.72
Rot. Bonds1

About cyclohex-3-en-1-yl(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

cyclohex-3-en-1-yl(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (PubChem CID 72719435) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is cyclohex-3-en-1-yl(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
PubChem CID72719435
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Namecyclohex-3-en-1-yl(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCc2ncncc2C1
InChIInChI=1S/C14H17N3O/c18-14(11-4-2-1-3-5-11)17-7-6-13-12(9-17)8-15-10-16-13/h1-2,8,10-11H,3-7,9H2
InChIKeyABZVFHSRAKZADU-UHFFFAOYSA-N
XLogP1.72
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.72
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 cyclohex-3-en-1-yl(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (CID 72719435) is cyclohex-3-en-1-yl(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is O=C(C1CC=CCC1)N1CCc2ncncc2C1.
What is the InChIKey of cyclohex-3-en-1-yl(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The InChIKey is ABZVFHSRAKZADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14(11-4-2-1-3-5-11)17-7-6-13-12(9-17)8-15-10-16-13/h1-2,8,10-11H,3-7,9H2.
What are the key properties of cyclohex-3-en-1-yl(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
cyclohex-3-en-1-yl(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone has a molecular weight of 243.31 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 72719435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).