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

C15H29N3 — CID 66633649

IUPAC1-(2-ethylhexyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESCCCCC(CC)CN1CCCN2CCCN=C21
InChIInChI=1S/C15H29N3/c1-3-5-8-14(4-2)13-18-12-7-11-17-10-6-9-16-15(17)18/h14H,3-13H2,1-2H3
InChIKeyRJFNWXKFYZXXRA-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.97
Rot. Bonds6

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

1-(2-ethylhexyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (PubChem CID 66633649) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-(2-ethylhexyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
PubChem CID66633649
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(2-ethylhexyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESCCCCC(CC)CN1CCCN2CCCN=C21
InChIInChI=1S/C15H29N3/c1-3-5-8-14(4-2)13-18-12-7-11-17-10-6-9-16-15(17)18/h14H,3-13H2,1-2H3
InChIKeyRJFNWXKFYZXXRA-UHFFFAOYSA-N
XLogP2.97
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethylhexyl)-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-(2-ethylhexyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The IUPAC name of 1-(2-ethylhexyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (CID 66633649) is 1-(2-ethylhexyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 1-(2-ethylhexyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The canonical SMILES for 1-(2-ethylhexyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is CCCCC(CC)CN1CCCN2CCCN=C21.
What is the InChIKey of 1-(2-ethylhexyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The InChIKey is RJFNWXKFYZXXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-3-5-8-14(4-2)13-18-12-7-11-17-10-6-9-16-15(17)18/h14H,3-13H2,1-2H3.
What are the key properties of 1-(2-ethylhexyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
1-(2-ethylhexyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine has a molecular weight of 251.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 66633649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).