6-(4-hydroxyanilino)-N-phenylpyrimidine-4-carboxamide

C17H14N4O2 — CID 44631934

IUPAC6-(4-hydroxyanilino)-N-phenylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(Nc2ccc(O)cc2)ncn1
InChIInChI=1S/C17H14N4O2/c22-14-8-6-13(7-9-14)20-16-10-15(18-11-19-16)17(23)21-12-4-2-1-3-5-12/h1-11,22H,(H,21,23)(H,18,19,20)
InChIKeyPHKVYEJMODPMDF-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.18
Rot. Bonds4

About 6-(4-hydroxyanilino)-N-phenylpyrimidine-4-carboxamide

6-(4-hydroxyanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 44631934) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 6-(4-hydroxyanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-hydroxyanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID44631934
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name6-(4-hydroxyanilino)-N-phenylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(Nc2ccc(O)cc2)ncn1
InChIInChI=1S/C17H14N4O2/c22-14-8-6-13(7-9-14)20-16-10-15(18-11-19-16)17(23)21-12-4-2-1-3-5-12/h1-11,22H,(H,21,23)(H,18,19,20)
InChIKeyPHKVYEJMODPMDF-UHFFFAOYSA-N
XLogP3.18
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-hydroxyanilino)-N-phenylpyrimidine-4-carboxamide (CID 44631934) is 6-(4-hydroxyanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-hydroxyanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-hydroxyanilino)-N-phenylpyrimidine-4-carboxamide is O=C(Nc1ccccc1)c1cc(Nc2ccc(O)cc2)ncn1.
What is the InChIKey of 6-(4-hydroxyanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is PHKVYEJMODPMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-14-8-6-13(7-9-14)20-16-10-15(18-11-19-16)17(23)21-12-4-2-1-3-5-12/h1-11,22H,(H,21,23)(H,18,19,20).
What are the key properties of 6-(4-hydroxyanilino)-N-phenylpyrimidine-4-carboxamide?
6-(4-hydroxyanilino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 44631934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).