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

C13H25N3 — CID 19936999

IUPAC1-hexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESCCCCCCN1CCCN2CCCN=C12
InChIInChI=1S/C13H25N3/c1-2-3-4-5-9-15-11-7-12-16-10-6-8-14-13(15)16/h2-12H2,1H3
InChIKeyBFFLGDFUJNHTKN-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.33
Rot. Bonds5

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

1-hexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (PubChem CID 19936999) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-hexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-hexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
PubChem CID19936999
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-hexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESCCCCCCN1CCCN2CCCN=C12
InChIInChI=1S/C13H25N3/c1-2-3-4-5-9-15-11-7-12-16-10-6-8-14-13(15)16/h2-12H2,1H3
InChIKeyBFFLGDFUJNHTKN-UHFFFAOYSA-N
XLogP2.33
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
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 1-hexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The IUPAC name of 1-hexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (CID 19936999) is 1-hexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 1-hexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The canonical SMILES for 1-hexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is CCCCCCN1CCCN2CCCN=C12.
What is the InChIKey of 1-hexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The InChIKey is BFFLGDFUJNHTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-2-3-4-5-9-15-11-7-12-16-10-6-8-14-13(15)16/h2-12H2,1H3.
What are the key properties of 1-hexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
1-hexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine has a molecular weight of 223.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 19936999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).