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

C5H7N5O2 — CID 23042610

IUPAC2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESNC(N)=Nc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C5H7N5O2/c6-4(7)10-5-8-2(11)1-3(12)9-5/h1H,(H6,6,7,8,9,10,11,12)
InChIKeyNHKQFLAKTUCGQX-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.62
Rot. Bonds1

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

2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)guanidine (PubChem CID 23042610) has the molecular formula C5H7N5O2 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)guanidine
PubChem CID23042610
Molecular FormulaC5H7N5O2
Molecular Weight169.14 g/mol
Exact Mass169.06
IUPAC Name2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESNC(N)=Nc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C5H7N5O2/c6-4(7)10-5-8-2(11)1-3(12)9-5/h1H,(H6,6,7,8,9,10,11,12)
InChIKeyNHKQFLAKTUCGQX-UHFFFAOYSA-N
XLogP-1.62
TPSA130.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.62
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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Related Compounds

2-Aminoisocytosine
CID 135408763
4(3H)-Pyrimidinone, 2-amino-6-hydroxy-
CID 66131
2-Cyanoamino-4,6-dihydroxypyrimidine
CID 246750
Cyanamide, N-(4-amino-1,6-dihydro-6-oxo-2-pyrimidinyl)-
CID 135408698
2-Amino-4-hydroxy-6-methoxypyrimidine
CID 1532133
2-Amino-6-chloropyrimidin-4-ol hydrate
CID 135445674
2,6-diaminopyrimidin-4(3H)-one monohydrate
CID 135898821
2-(Dimethylamino)-4,6-pyrimidinediol
CID 320025
Dihydroxy-fluor-pyrimidin
CID 129637215
4(3H)-Pyrimidinone, 2,6-diamino-, sulfate (1:?)
CID 135455591
2-Amino-6-fluoropyrimidin-4-ol
CID 135417083
N,N'-(6-hydroxypyrimidine-2,4-diyl)diacetamide
CID 135506785

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)guanidine?
The IUPAC name of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)guanidine (CID 23042610) is 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)guanidine.
What is the SMILES notation for 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)guanidine?
The canonical SMILES for 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)guanidine is NC(N)=Nc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)guanidine?
The InChIKey is NHKQFLAKTUCGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2/c6-4(7)10-5-8-2(11)1-3(12)9-5/h1H,(H6,6,7,8,9,10,11,12).
What are the key properties of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)guanidine?
2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)guanidine has a molecular weight of 169.14 g/mol, XLogP of -1.62, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)guanidine is sourced from PubChem (CID 23042610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).