3,6,7,8-tetrahydro-2H-imidazo[1,5-c]pyrimidin-5-one

C6H9N3O — CID 55299903

IUPAC3,6,7,8-tetrahydro-2H-imidazo[1,5-c]pyrimidin-5-one
SMILESO=C1NCCC2=CNCN12
InChIInChI=1S/C6H9N3O/c10-6-8-2-1-5-3-7-4-9(5)6/h3,7H,1-2,4H2,(H,8,10)
InChIKeyKRKZKPGZVNEAAI-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.20
Rot. Bonds

About 3,6,7,8-tetrahydro-2H-imidazo[1,5-c]pyrimidin-5-one

3,6,7,8-tetrahydro-2H-imidazo[1,5-c]pyrimidin-5-one (PubChem CID 55299903) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 3,6,7,8-tetrahydro-2H-imidazo[1,5-c]pyrimidin-5-one.

Molecular Properties

Compound Name3,6,7,8-tetrahydro-2H-imidazo[1,5-c]pyrimidin-5-one
PubChem CID55299903
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name3,6,7,8-tetrahydro-2H-imidazo[1,5-c]pyrimidin-5-one
SMILESO=C1NCCC2=CNCN12
InChIInChI=1S/C6H9N3O/c10-6-8-2-1-5-3-7-4-9(5)6/h3,7H,1-2,4H2,(H,8,10)
InChIKeyKRKZKPGZVNEAAI-UHFFFAOYSA-N
XLogP-0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6,7,8-tetrahydro-2H-imidazo[1,5-c]pyrimidin-5-one?
The IUPAC name of 3,6,7,8-tetrahydro-2H-imidazo[1,5-c]pyrimidin-5-one (CID 55299903) is 3,6,7,8-tetrahydro-2H-imidazo[1,5-c]pyrimidin-5-one.
What is the SMILES notation for 3,6,7,8-tetrahydro-2H-imidazo[1,5-c]pyrimidin-5-one?
The canonical SMILES for 3,6,7,8-tetrahydro-2H-imidazo[1,5-c]pyrimidin-5-one is O=C1NCCC2=CNCN12.
What is the InChIKey of 3,6,7,8-tetrahydro-2H-imidazo[1,5-c]pyrimidin-5-one?
The InChIKey is KRKZKPGZVNEAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c10-6-8-2-1-5-3-7-4-9(5)6/h3,7H,1-2,4H2,(H,8,10).
What are the key properties of 3,6,7,8-tetrahydro-2H-imidazo[1,5-c]pyrimidin-5-one?
3,6,7,8-tetrahydro-2H-imidazo[1,5-c]pyrimidin-5-one has a molecular weight of 139.16 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8-tetrahydro-2H-imidazo[1,5-c]pyrimidin-5-one is sourced from PubChem (CID 55299903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).