1-amino-3-(3-pyrimidin-5-ylphenyl)urea

C11H11N5O — CID 142783216

IUPAC1-amino-3-(3-pyrimidin-5-ylphenyl)urea
SMILESNNC(=O)Nc1cccc(-c2cncnc2)c1
InChIInChI=1S/C11H11N5O/c12-16-11(17)15-10-3-1-2-8(4-10)9-5-13-7-14-6-9/h1-7H,12H2,(H2,15,16,17)
InChIKeyGFIXBYSUGSFEIA-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.14
Rot. Bonds2

About 1-amino-3-(3-pyrimidin-5-ylphenyl)urea

1-amino-3-(3-pyrimidin-5-ylphenyl)urea (PubChem CID 142783216) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-amino-3-(3-pyrimidin-5-ylphenyl)urea.

Molecular Properties

Compound Name1-amino-3-(3-pyrimidin-5-ylphenyl)urea
PubChem CID142783216
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name1-amino-3-(3-pyrimidin-5-ylphenyl)urea
SMILESNNC(=O)Nc1cccc(-c2cncnc2)c1
InChIInChI=1S/C11H11N5O/c12-16-11(17)15-10-3-1-2-8(4-10)9-5-13-7-14-6-9/h1-7H,12H2,(H2,15,16,17)
InChIKeyGFIXBYSUGSFEIA-UHFFFAOYSA-N
XLogP1.14
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-N-(3-pyrimidin-5-ylphenyl)butanamide
CID 110460628
N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide
CID 25058459
1-amino-3-(3-hydroxyphenyl)urea
CID 23273555
N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644
2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide
CID 110467649
1-methyl-N-(3-pyrimidin-5-ylphenyl)triazole-4-carboxamide
CID 110461980
5-(3-pyrimidin-5-ylphenyl)pyrimidine
CID 101127667
1-amino-3-pyridin-4-ylurea
CID 15289585
4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide
CID 156839359
2-amino-2-(2,3-dihydro-1H-inden-1-yl)-N-(3-pyrimidin-5-ylphenyl)acetamide
CID 167775564
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
3-pyrimidin-5-ylaniline
CID 7162049

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-pyrimidin-5-ylphenyl)urea?
The IUPAC name of 1-amino-3-(3-pyrimidin-5-ylphenyl)urea (CID 142783216) is 1-amino-3-(3-pyrimidin-5-ylphenyl)urea.
What is the SMILES notation for 1-amino-3-(3-pyrimidin-5-ylphenyl)urea?
The canonical SMILES for 1-amino-3-(3-pyrimidin-5-ylphenyl)urea is NNC(=O)Nc1cccc(-c2cncnc2)c1.
What is the InChIKey of 1-amino-3-(3-pyrimidin-5-ylphenyl)urea?
The InChIKey is GFIXBYSUGSFEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c12-16-11(17)15-10-3-1-2-8(4-10)9-5-13-7-14-6-9/h1-7H,12H2,(H2,15,16,17).
What are the key properties of 1-amino-3-(3-pyrimidin-5-ylphenyl)urea?
1-amino-3-(3-pyrimidin-5-ylphenyl)urea has a molecular weight of 229.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-pyrimidin-5-ylphenyl)urea is sourced from PubChem (CID 142783216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).