2-(4-amino-6-oxo-1H-pyrimidin-2-yl)guanidine

C5H8N6O — CID 135773170

IUPAC2-(4-amino-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESNC(N)=Nc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C5H8N6O/c6-2-1-3(12)10-5(9-2)11-4(7)8/h1H,(H7,6,7,8,9,10,11,12)
InChIKeySGCCOSHUSKMIKV-UHFFFAOYSA-N
MW168.16 g/mol
LogP-1.74
Rot. Bonds1

About 2-(4-amino-6-oxo-1H-pyrimidin-2-yl)guanidine

2-(4-amino-6-oxo-1H-pyrimidin-2-yl)guanidine (PubChem CID 135773170) has the molecular formula C5H8N6O and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-(4-amino-6-oxo-1H-pyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name2-(4-amino-6-oxo-1H-pyrimidin-2-yl)guanidine
PubChem CID135773170
Molecular FormulaC5H8N6O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name2-(4-amino-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESNC(N)=Nc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C5H8N6O/c6-2-1-3(12)10-5(9-2)11-4(7)8/h1H,(H7,6,7,8,9,10,11,12)
InChIKeySGCCOSHUSKMIKV-UHFFFAOYSA-N
XLogP-1.74
TPSA136.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-oxo-1H-pyrimidin-2-yl)guanidine?
The IUPAC name of 2-(4-amino-6-oxo-1H-pyrimidin-2-yl)guanidine (CID 135773170) is 2-(4-amino-6-oxo-1H-pyrimidin-2-yl)guanidine.
What is the SMILES notation for 2-(4-amino-6-oxo-1H-pyrimidin-2-yl)guanidine?
The canonical SMILES for 2-(4-amino-6-oxo-1H-pyrimidin-2-yl)guanidine is NC(N)=Nc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 2-(4-amino-6-oxo-1H-pyrimidin-2-yl)guanidine?
The InChIKey is SGCCOSHUSKMIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O/c6-2-1-3(12)10-5(9-2)11-4(7)8/h1H,(H7,6,7,8,9,10,11,12).
What are the key properties of 2-(4-amino-6-oxo-1H-pyrimidin-2-yl)guanidine?
2-(4-amino-6-oxo-1H-pyrimidin-2-yl)guanidine has a molecular weight of 168.16 g/mol, XLogP of -1.74, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-oxo-1H-pyrimidin-2-yl)guanidine is sourced from PubChem (CID 135773170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).