1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea

C7H10N4O4 — CID 134822106

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
SMILESCOc1cc(OC)nc(NC(=O)NO)n1
InChIInChI=1S/C7H10N4O4/c1-14-4-3-5(15-2)9-6(8-4)10-7(12)11-13/h3,13H,1-2H3,(H2,8,9,10,11,12)
InChIKeyHUTKRRUVIXCTKL-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.00
Rot. Bonds3

About 1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea

1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea (PubChem CID 134822106) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
PubChem CID134822106
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
SMILESCOc1cc(OC)nc(NC(=O)NO)n1
InChIInChI=1S/C7H10N4O4/c1-14-4-3-5(15-2)9-6(8-4)10-7(12)11-13/h3,13H,1-2H3,(H2,8,9,10,11,12)
InChIKeyHUTKRRUVIXCTKL-UHFFFAOYSA-N
XLogP0.00
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4,6-dimethoxypyrimidin-2-yl)carbamate
CID 22648732
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
N-(4,6-dimethoxypyrimidin-2-yl)-3-oxobutanamide
CID 117058957
N-(4,6-dimethoxypyrimidin-2-yl)-2-hydroxy-2-methylpropanamide
CID 107626294
N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107689719
1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea
CID 27255463
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-2-methylbutanoic acid
CID 107629350
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide
CID 107626172
1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
CID 19607508
4-[(4,6-dimethoxypyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107624804
(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]pentanoic acid
CID 107629256
(2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 107829628

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea (CID 134822106) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea is COc1cc(OC)nc(NC(=O)NO)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea?
The InChIKey is HUTKRRUVIXCTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c1-14-4-3-5(15-2)9-6(8-4)10-7(12)11-13/h3,13H,1-2H3,(H2,8,9,10,11,12).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea has a molecular weight of 214.18 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea is sourced from PubChem (CID 134822106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).