5,8-diamino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-one

C6H9N5O — CID 12896484

IUPAC5,8-diamino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-one
SMILESNc1c2n(c(N)nc1=O)CCN2
InChIInChI=1S/C6H9N5O/c7-3-4-9-1-2-11(4)6(8)10-5(3)12/h9H,1-2,7H2,(H2,8,10,12)
InChIKeyYICDUHVLNMTZIZ-UHFFFAOYSA-N
MW167.17 g/mol
LogP-1.17
Rot. Bonds

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

5,8-diamino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-one (PubChem CID 12896484) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 5,8-diamino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-one.

Molecular Properties

Compound Name5,8-diamino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-one
PubChem CID12896484
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name5,8-diamino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-one
SMILESNc1c2n(c(N)nc1=O)CCN2
InChIInChI=1S/C6H9N5O/c7-3-4-9-1-2-11(4)6(8)10-5(3)12/h9H,1-2,7H2,(H2,8,10,12)
InChIKeyYICDUHVLNMTZIZ-UHFFFAOYSA-N
XLogP-1.17
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,8-diamino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-one?
The IUPAC name of 5,8-diamino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-one (CID 12896484) is 5,8-diamino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-one.
What is the SMILES notation for 5,8-diamino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-one?
The canonical SMILES for 5,8-diamino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-one is Nc1c2n(c(N)nc1=O)CCN2.
What is the InChIKey of 5,8-diamino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-one?
The InChIKey is YICDUHVLNMTZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c7-3-4-9-1-2-11(4)6(8)10-5(3)12/h9H,1-2,7H2,(H2,8,10,12).
What are the key properties of 5,8-diamino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-one?
5,8-diamino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-one has a molecular weight of 167.17 g/mol, XLogP of -1.17, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diamino-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-7-one is sourced from PubChem (CID 12896484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).