6-ethyl-6-hexyl-2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidine

C15H29N3 — CID 141316681

IUPAC6-ethyl-6-hexyl-2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidine
SMILESCCCCCCC1(CC)CCNC2=NCCCN21
InChIInChI=1S/C15H29N3/c1-3-5-6-7-9-15(4-2)10-12-17-14-16-11-8-13-18(14)15/h3-13H2,1-2H3,(H,16,17)
InChIKeyUFTSEKSAQYLDMU-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.16
Rot. Bonds6

About 6-ethyl-6-hexyl-2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidine

6-ethyl-6-hexyl-2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidine (PubChem CID 141316681) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 6-ethyl-6-hexyl-2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-ethyl-6-hexyl-2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidine
PubChem CID141316681
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name6-ethyl-6-hexyl-2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidine
SMILESCCCCCCC1(CC)CCNC2=NCCCN21
InChIInChI=1S/C15H29N3/c1-3-5-6-7-9-15(4-2)10-12-17-14-16-11-8-13-18(14)15/h3-13H2,1-2H3,(H,16,17)
InChIKeyUFTSEKSAQYLDMU-UHFFFAOYSA-N
XLogP3.16
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-hexyl-2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidine?
The IUPAC name of 6-ethyl-6-hexyl-2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidine (CID 141316681) is 6-ethyl-6-hexyl-2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 6-ethyl-6-hexyl-2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidine?
The canonical SMILES for 6-ethyl-6-hexyl-2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidine is CCCCCCC1(CC)CCNC2=NCCCN21.
What is the InChIKey of 6-ethyl-6-hexyl-2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidine?
The InChIKey is UFTSEKSAQYLDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-3-5-6-7-9-15(4-2)10-12-17-14-16-11-8-13-18(14)15/h3-13H2,1-2H3,(H,16,17).
What are the key properties of 6-ethyl-6-hexyl-2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidine?
6-ethyl-6-hexyl-2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidine has a molecular weight of 251.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-hexyl-2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 141316681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).