2,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]pyrimidine

C7H13N3 — CID 19021947

IUPAC2,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]pyrimidine
SMILESC1=CN2CCCNC2NC1
InChIInChI=1S/C7H13N3/c1-3-8-7-9-4-2-6-10(7)5-1/h1,5,7-9H,2-4,6H2
InChIKeyFBMGEATYKZTFMA-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.32
Rot. Bonds

About 2,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]pyrimidine

2,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]pyrimidine (PubChem CID 19021947) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]pyrimidine
PubChem CID19021947
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]pyrimidine
SMILESC1=CN2CCCNC2NC1
InChIInChI=1S/C7H13N3/c1-3-8-7-9-4-2-6-10(7)5-1/h1,5,7-9H,2-4,6H2
InChIKeyFBMGEATYKZTFMA-UHFFFAOYSA-N
XLogP-0.32
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,6,7,8,9,9a-hexahydro-1H-pyrimido[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 2,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 2,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]pyrimidine (CID 19021947) is 2,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 2,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 2,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]pyrimidine is C1=CN2CCCNC2NC1.
What is the InChIKey of 2,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]pyrimidine?
The InChIKey is FBMGEATYKZTFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-8-7-9-4-2-6-10(7)5-1/h1,5,7-9H,2-4,6H2.
What are the key properties of 2,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]pyrimidine?
2,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]pyrimidine has a molecular weight of 139.20 g/mol, XLogP of -0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 19021947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).