2-(4-amino-2-oxopyrimidin-1-yl)guanidine

C5H8N6O — CID 57450610

IUPAC2-(4-amino-2-oxopyrimidin-1-yl)guanidine
SMILESNC(N)=Nn1ccc(N)nc1=O
InChIInChI=1S/C5H8N6O/c6-3-1-2-11(5(12)9-3)10-4(7)8/h1-2H,(H2,6,9,12)(H4,7,8,10)
InChIKeyLMTHXWRVAKSVEO-UHFFFAOYSA-N
MW168.16 g/mol
LogP-2.14
Rot. Bonds1

About 2-(4-amino-2-oxopyrimidin-1-yl)guanidine

2-(4-amino-2-oxopyrimidin-1-yl)guanidine (PubChem CID 57450610) has the molecular formula C5H8N6O and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-(4-amino-2-oxopyrimidin-1-yl)guanidine.

Molecular Properties

Compound Name2-(4-amino-2-oxopyrimidin-1-yl)guanidine
PubChem CID57450610
Molecular FormulaC5H8N6O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name2-(4-amino-2-oxopyrimidin-1-yl)guanidine
SMILESNC(N)=Nn1ccc(N)nc1=O
InChIInChI=1S/C5H8N6O/c6-3-1-2-11(5(12)9-3)10-4(7)8/h1-2H,(H2,6,9,12)(H4,7,8,10)
InChIKeyLMTHXWRVAKSVEO-UHFFFAOYSA-N
XLogP-2.14
TPSA125.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2-oxopyrimidin-1-yl)-2-(diaminomethylideneamino)guanidine
CID 70438896
4-amino-1-methylpyrimidin-2-one;hydrobromide
CID 91983314
4-amino-1-prop-1-en-2-ylpyrimidin-2-one
CID 145434228
1-acetyl-4-aminopyrimidin-2-one;methane
CID 174689479
4-amino-1-methylpyrimidin-2-one;propane
CID 143278150
4-amino-1-(5-ethynyl-3,3-difluoro-4-hydroxyoxolan-2-yl)pyrimidin-2-one
CID 123309509
4-amino-1-prop-2-enoylpyrimidin-2-one
CID 152628564
2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
CID 14216904
4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one
CID 10419944
4-amino-1-[(1S,3R,4R,5S)-2,2-difluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
CID 155530574
4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one
CID 167149217
4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one
CID 118607354

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxopyrimidin-1-yl)guanidine?
The IUPAC name of 2-(4-amino-2-oxopyrimidin-1-yl)guanidine (CID 57450610) is 2-(4-amino-2-oxopyrimidin-1-yl)guanidine.
What is the SMILES notation for 2-(4-amino-2-oxopyrimidin-1-yl)guanidine?
The canonical SMILES for 2-(4-amino-2-oxopyrimidin-1-yl)guanidine is NC(N)=Nn1ccc(N)nc1=O.
What is the InChIKey of 2-(4-amino-2-oxopyrimidin-1-yl)guanidine?
The InChIKey is LMTHXWRVAKSVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O/c6-3-1-2-11(5(12)9-3)10-4(7)8/h1-2H,(H2,6,9,12)(H4,7,8,10).
What are the key properties of 2-(4-amino-2-oxopyrimidin-1-yl)guanidine?
2-(4-amino-2-oxopyrimidin-1-yl)guanidine has a molecular weight of 168.16 g/mol, XLogP of -2.14, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxopyrimidin-1-yl)guanidine is sourced from PubChem (CID 57450610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).