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

C6H9N3O — CID 90008132

IUPAC2,3,6,8a-tetrahydro-1H-imidazo[1,2-c]pyrimidin-5-one
SMILESO=C1NC=CC2NCCN12
InChIInChI=1S/C6H9N3O/c10-6-8-2-1-5-7-3-4-9(5)6/h1-2,5,7H,3-4H2,(H,8,10)
InChIKeyXBWCUQNIMIOYBV-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.55
Rot. Bonds

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

2,3,6,8a-tetrahydro-1H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 90008132) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2,3,6,8a-tetrahydro-1H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name2,3,6,8a-tetrahydro-1H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID90008132
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2,3,6,8a-tetrahydro-1H-imidazo[1,2-c]pyrimidin-5-one
SMILESO=C1NC=CC2NCCN12
InChIInChI=1S/C6H9N3O/c10-6-8-2-1-5-7-3-4-9(5)6/h1-2,5,7H,3-4H2,(H,8,10)
InChIKeyXBWCUQNIMIOYBV-UHFFFAOYSA-N
XLogP-0.55
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 ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,8a-tetrahydro-1H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 2,3,6,8a-tetrahydro-1H-imidazo[1,2-c]pyrimidin-5-one (CID 90008132) is 2,3,6,8a-tetrahydro-1H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 2,3,6,8a-tetrahydro-1H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 2,3,6,8a-tetrahydro-1H-imidazo[1,2-c]pyrimidin-5-one is O=C1NC=CC2NCCN12.
What is the InChIKey of 2,3,6,8a-tetrahydro-1H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is XBWCUQNIMIOYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c10-6-8-2-1-5-7-3-4-9(5)6/h1-2,5,7H,3-4H2,(H,8,10).
What are the key properties of 2,3,6,8a-tetrahydro-1H-imidazo[1,2-c]pyrimidin-5-one?
2,3,6,8a-tetrahydro-1H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 139.16 g/mol, XLogP of -0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,8a-tetrahydro-1H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 90008132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).