2-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine

C5H9N5O — CID 139220797

IUPAC2-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine
SMILESNC(N)=NC1=NCCC(=O)N1
InChIInChI=1S/C5H9N5O/c6-4(7)10-5-8-2-1-3(11)9-5/h1-2H2,(H5,6,7,8,9,10,11)
InChIKeyRWUTWOOTHXITPG-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.86
Rot. Bonds

About 2-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine

2-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine (PubChem CID 139220797) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name2-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine
PubChem CID139220797
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name2-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine
SMILESNC(N)=NC1=NCCC(=O)N1
InChIInChI=1S/C5H9N5O/c6-4(7)10-5-8-2-1-3(11)9-5/h1-2H2,(H5,6,7,8,9,10,11)
InChIKeyRWUTWOOTHXITPG-UHFFFAOYSA-N
XLogP-1.86
TPSA105.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4,6(1H,5H)-Pyrimidinedione, 2-amino-
CID 78146
2-Amino-5,6-dihydropyrimidin-4(3h)-one
CID 242426
4(1H)-Pyrimidinone, tetrahydro-2-imino-6-methyl-
CID 97863
2-amino-4-fluoro-4,5-dihydro-1H-pyrimidin-6-one
CID 178186153
2-Amino-5-methyl-5,6-dihydropyrimidin-4(3h)-one
CID 243055
2-[(2-Amino-5-oxo-1,4-dihydroimidazol-4-yl)methyl]guanidine
CID 21678262
2,5-Diamino-5,6-dihydropyrimidin-4(1H)-one
CID 12736612
(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea
CID 13587788
beta-Alacleatinine hydrochloride
CID 15558655
(5S)-2-(carbamoylamino)-5-methyl-6-oxo-1,4-dihydropyrimidine-5-carboxamide
CID 70033826
(5R)-2-(carbamoylamino)-5-methyl-6-oxo-1,4-dihydropyrimidine-5-carboxamide
CID 70035278
2-hydrazinyl-4,5-dihydro-1H-pyrimidin-6-one
CID 85781439

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine?
The IUPAC name of 2-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine (CID 139220797) is 2-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine.
What is the SMILES notation for 2-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine?
The canonical SMILES for 2-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine is NC(N)=NC1=NCCC(=O)N1.
What is the InChIKey of 2-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine?
The InChIKey is RWUTWOOTHXITPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c6-4(7)10-5-8-2-1-3(11)9-5/h1-2H2,(H5,6,7,8,9,10,11).
What are the key properties of 2-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine?
2-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine has a molecular weight of 155.16 g/mol, XLogP of -1.86, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine is sourced from PubChem (CID 139220797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).