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

C12H23N3 — CID 19021949

IUPAC1-pentyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESCCCCCN1CCCN2CCCN=C12
InChIInChI=1S/C12H23N3/c1-2-3-4-8-14-10-6-11-15-9-5-7-13-12(14)15/h2-11H2,1H3
InChIKeyBTGBWSJVSWTSPE-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.94
Rot. Bonds4

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

1-pentyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (PubChem CID 19021949) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-pentyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-pentyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
PubChem CID19021949
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-pentyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESCCCCCN1CCCN2CCCN=C12
InChIInChI=1S/C12H23N3/c1-2-3-4-8-14-10-6-11-15-9-5-7-13-12(14)15/h2-11H2,1H3
InChIKeyBTGBWSJVSWTSPE-UHFFFAOYSA-N
XLogP1.94
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.94
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-pentyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The IUPAC name of 1-pentyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (CID 19021949) is 1-pentyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 1-pentyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The canonical SMILES for 1-pentyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is CCCCCN1CCCN2CCCN=C12.
What is the InChIKey of 1-pentyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The InChIKey is BTGBWSJVSWTSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-2-3-4-8-14-10-6-11-15-9-5-7-13-12(14)15/h2-11H2,1H3.
What are the key properties of 1-pentyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
1-pentyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine has a molecular weight of 209.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 19021949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).