1-(3-cycloundecylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine

C21H39N3 — CID 166781692

IUPAC1-(3-cycloundecylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESC1CCCCCC(CCCN2CCCN3CCCN=C32)CCCC1
InChIInChI=1S/C21H39N3/c1-2-4-6-8-13-20(12-7-5-3-1)14-9-16-23-18-11-19-24-17-10-15-22-21(23)24/h20H,1-19H2
InChIKeyQFGAKQRRBMJCSA-UHFFFAOYSA-N
MW333.56 g/mol
LogP5.06
Rot. Bonds4

About 1-(3-cycloundecylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine

1-(3-cycloundecylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (PubChem CID 166781692) has the molecular formula C21H39N3 and a molecular weight of 333.56 g/mol. Its IUPAC name is 1-(3-cycloundecylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-(3-cycloundecylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
PubChem CID166781692
Molecular FormulaC21H39N3
Molecular Weight333.56 g/mol
Exact Mass333.31
IUPAC Name1-(3-cycloundecylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESC1CCCCCC(CCCN2CCCN3CCCN=C32)CCCC1
InChIInChI=1S/C21H39N3/c1-2-4-6-8-13-20(12-7-5-3-1)14-9-16-23-18-11-19-24-17-10-15-22-21(23)24/h20H,1-19H2
InChIKeyQFGAKQRRBMJCSA-UHFFFAOYSA-N
XLogP5.06
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-cycloundecylpropyl)-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-(3-cycloundecylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The IUPAC name of 1-(3-cycloundecylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (CID 166781692) is 1-(3-cycloundecylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 1-(3-cycloundecylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The canonical SMILES for 1-(3-cycloundecylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is C1CCCCCC(CCCN2CCCN3CCCN=C32)CCCC1.
What is the InChIKey of 1-(3-cycloundecylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The InChIKey is QFGAKQRRBMJCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3/c1-2-4-6-8-13-20(12-7-5-3-1)14-9-16-23-18-11-19-24-17-10-15-22-21(23)24/h20H,1-19H2.
What are the key properties of 1-(3-cycloundecylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
1-(3-cycloundecylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine has a molecular weight of 333.56 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cycloundecylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 166781692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).