4-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)butan-1-ol

C11H21N3O — CID 69036426

IUPAC4-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)butan-1-ol
SMILESOCCCCN1CCCN2CCCN=C12
InChIInChI=1S/C11H21N3O/c15-10-2-1-6-13-8-4-9-14-7-3-5-12-11(13)14/h15H,1-10H2
InChIKeyQMQGOPCBEUSXFK-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.53
Rot. Bonds4

About 4-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)butan-1-ol

4-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)butan-1-ol (PubChem CID 69036426) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)butan-1-ol
PubChem CID69036426
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)butan-1-ol
SMILESOCCCCN1CCCN2CCCN=C12
InChIInChI=1S/C11H21N3O/c15-10-2-1-6-13-8-4-9-14-7-3-5-12-11(13)14/h15H,1-10H2
InChIKeyQMQGOPCBEUSXFK-UHFFFAOYSA-N
XLogP0.53
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)butan-1-ol 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 4-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)butan-1-ol?
The IUPAC name of 4-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)butan-1-ol (CID 69036426) is 4-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)butan-1-ol.
What is the SMILES notation for 4-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)butan-1-ol?
The canonical SMILES for 4-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)butan-1-ol is OCCCCN1CCCN2CCCN=C12.
What is the InChIKey of 4-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)butan-1-ol?
The InChIKey is QMQGOPCBEUSXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c15-10-2-1-6-13-8-4-9-14-7-3-5-12-11(13)14/h15H,1-10H2.
What are the key properties of 4-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)butan-1-ol?
4-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)butan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)butan-1-ol is sourced from PubChem (CID 69036426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).