1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)urea

C11H9N5O5 — CID 22503814

IUPAC1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ncc(O)c(=O)[nH]1
InChIInChI=1S/C11H9N5O5/c17-8-5-12-10(14-9(8)18)15-11(19)13-6-1-3-7(4-2-6)16(20)21/h1-5,17H,(H3,12,13,14,15,18,19)
InChIKeyNEOZMZGBKFKFJY-UHFFFAOYSA-N
MW291.22 g/mol
LogP1.03
Rot. Bonds3

About 1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)urea

1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)urea (PubChem CID 22503814) has the molecular formula C11H9N5O5 and a molecular weight of 291.22 g/mol. Its IUPAC name is 1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)urea
PubChem CID22503814
Molecular FormulaC11H9N5O5
Molecular Weight291.22 g/mol
Exact Mass291.06
IUPAC Name1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ncc(O)c(=O)[nH]1
InChIInChI=1S/C11H9N5O5/c17-8-5-12-10(14-9(8)18)15-11(19)13-6-1-3-7(4-2-6)16(20)21/h1-5,17H,(H3,12,13,14,15,18,19)
InChIKeyNEOZMZGBKFKFJY-UHFFFAOYSA-N
XLogP1.03
TPSA150.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyanophenyl)-3-(4-nitrophenyl)urea
CID 43386590
1-(3-hydroxy-2-methylphenyl)-3-(4-nitrophenyl)urea
CID 64793841
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
1-(4-nitrophenyl)-3-[6-[(4-nitrophenyl)carbamoylamino]acridin-3-yl]urea
CID 22503858
1-(4-nitrophenyl)-3-(1,2-oxazol-5-yl)urea
CID 108814006
1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-nitrophenyl)urea
CID 104620513
ethyl 2-[(4-nitrobenzoyl)amino]-6-oxo-1H-pyrimidine-5-carboxylate
CID 23763029
1-(4-nitrophenyl)-3-[6-[(4-nitrophenyl)carbamoylamino]hexyl]urea
CID 136817257
1-(2,3-dimethylquinoxalin-6-yl)-3-(4-nitrophenyl)urea
CID 108885515
1-[4-(azepane-1-carbonyl)phenyl]-3-(4-nitrophenyl)urea
CID 166354714
1-(4-nitrophenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea
CID 157090092
1-(4-nitrophenyl)-3-(oxetan-3-yl)urea
CID 113415274

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)urea?
The IUPAC name of 1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)urea (CID 22503814) is 1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)urea is O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ncc(O)c(=O)[nH]1.
What is the InChIKey of 1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)urea?
The InChIKey is NEOZMZGBKFKFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O5/c17-8-5-12-10(14-9(8)18)15-11(19)13-6-1-3-7(4-2-6)16(20)21/h1-5,17H,(H3,12,13,14,15,18,19).
What are the key properties of 1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)urea?
1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)urea has a molecular weight of 291.22 g/mol, XLogP of 1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)urea is sourced from PubChem (CID 22503814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).