3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine

C7H13N3 — CID 19902665

IUPAC3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine
SMILESC1CN=C2CCNCN2C1
InChIInChI=1S/C7H13N3/c1-3-9-7-2-4-8-6-10(7)5-1/h8H,1-6H2
InChIKeyAVGSKBUYCGIAAX-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.04
Rot. Bonds

About 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine

3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine (PubChem CID 19902665) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine.

Molecular Properties

Compound Name3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine
PubChem CID19902665
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine
SMILESC1CN=C2CCNCN2C1
InChIInChI=1S/C7H13N3/c1-3-9-7-2-4-8-6-10(7)5-1/h8H,1-6H2
InChIKeyAVGSKBUYCGIAAX-UHFFFAOYSA-N
XLogP0.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine?
The IUPAC name of 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine (CID 19902665) is 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine.
What is the SMILES notation for 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine?
The canonical SMILES for 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine is C1CN=C2CCNCN2C1.
What is the InChIKey of 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine?
The InChIKey is AVGSKBUYCGIAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-9-7-2-4-8-6-10(7)5-1/h8H,1-6H2.
What are the key properties of 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine?
3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine has a molecular weight of 139.20 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine is sourced from PubChem (CID 19902665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).