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

C5H6N4O3 — CID 23042637

IUPAC(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)urea
SMILESNC(=O)Nc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C5H6N4O3/c6-4(12)9-5-7-2(10)1-3(11)8-5/h1H,(H5,6,7,8,9,10,11,12)
InChIKeyMANYVBUGTRHKES-UHFFFAOYSA-N
MW170.13 g/mol
LogP-1.03
Rot. Bonds1

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

(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)urea (PubChem CID 23042637) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is (4-hydroxy-6-oxo-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)urea
PubChem CID23042637
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC Name(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)urea
SMILESNC(=O)Nc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C5H6N4O3/c6-4(12)9-5-7-2(10)1-3(11)8-5/h1H,(H5,6,7,8,9,10,11,12)
InChIKeyMANYVBUGTRHKES-UHFFFAOYSA-N
XLogP-1.03
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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-6-chloropyrimidin-4-ol hydrate
CID 135445674
2,6-diaminopyrimidin-4(3H)-one monohydrate
CID 135898821
2-(Dimethylamino)-4,6-pyrimidinediol
CID 320025
N-(6-Oxo-1,6-dihydropyrimidin-2-yl)urea
CID 22227528
N,N'-(6-hydroxypyrimidine-2,4-diyl)diacetamide
CID 135506785
2,6-Diamino-4-oxo-3,4-dihydropyrimidin-1-ium chloride dihydrate
CID 139079883
(4-fluoro-6-oxo-1H-pyrimidin-2-yl)urea
CID 136734272
CID 5773240
CID 5773240

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-6-oxo-1H-pyrimidin-2-yl)urea?
The IUPAC name of (4-hydroxy-6-oxo-1H-pyrimidin-2-yl)urea (CID 23042637) is (4-hydroxy-6-oxo-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for (4-hydroxy-6-oxo-1H-pyrimidin-2-yl)urea?
The canonical SMILES for (4-hydroxy-6-oxo-1H-pyrimidin-2-yl)urea is NC(=O)Nc1nc(O)cc(=O)[nH]1.
What is the InChIKey of (4-hydroxy-6-oxo-1H-pyrimidin-2-yl)urea?
The InChIKey is MANYVBUGTRHKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3/c6-4(12)9-5-7-2(10)1-3(11)8-5/h1H,(H5,6,7,8,9,10,11,12).
What are the key properties of (4-hydroxy-6-oxo-1H-pyrimidin-2-yl)urea?
(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)urea has a molecular weight of 170.13 g/mol, XLogP of -1.03, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-6-oxo-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 23042637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).