1-decyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine

C17H33N3 — CID 66633181

IUPAC1-decyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESCCCCCCCCCCN1CCCN2CCCN=C12
InChIInChI=1S/C17H33N3/c1-2-3-4-5-6-7-8-9-13-19-15-11-16-20-14-10-12-18-17(19)20/h2-16H2,1H3
InChIKeyNSCKQAVTPSAALQ-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.89
Rot. Bonds9

About 1-decyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine

1-decyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (PubChem CID 66633181) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-decyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-decyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
PubChem CID66633181
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-decyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESCCCCCCCCCCN1CCCN2CCCN=C12
InChIInChI=1S/C17H33N3/c1-2-3-4-5-6-7-8-9-13-19-15-11-16-20-14-10-12-18-17(19)20/h2-16H2,1H3
InChIKeyNSCKQAVTPSAALQ-UHFFFAOYSA-N
XLogP3.89
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-decyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The IUPAC name of 1-decyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (CID 66633181) is 1-decyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 1-decyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The canonical SMILES for 1-decyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is CCCCCCCCCCN1CCCN2CCCN=C12.
What is the InChIKey of 1-decyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The InChIKey is NSCKQAVTPSAALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-3-4-5-6-7-8-9-13-19-15-11-16-20-14-10-12-18-17(19)20/h2-16H2,1H3.
What are the key properties of 1-decyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
1-decyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine has a molecular weight of 279.47 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 66633181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).