4-(4-hydroxyphenyl)-6-phenylpyrimidine-2-carbohydrazide

C17H14N4O2 — CID 164618881

IUPAC4-(4-hydroxyphenyl)-6-phenylpyrimidine-2-carbohydrazide
SMILESNNC(=O)c1nc(-c2ccccc2)cc(-c2ccc(O)cc2)n1
InChIInChI=1S/C17H14N4O2/c18-21-17(23)16-19-14(11-4-2-1-3-5-11)10-15(20-16)12-6-8-13(22)9-7-12/h1-10,22H,18H2,(H,21,23)
InChIKeyNXMZOKFWVRTUHO-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.12
Rot. Bonds3

About 4-(4-hydroxyphenyl)-6-phenylpyrimidine-2-carbohydrazide

4-(4-hydroxyphenyl)-6-phenylpyrimidine-2-carbohydrazide (PubChem CID 164618881) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-6-phenylpyrimidine-2-carbohydrazide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-6-phenylpyrimidine-2-carbohydrazide
PubChem CID164618881
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name4-(4-hydroxyphenyl)-6-phenylpyrimidine-2-carbohydrazide
SMILESNNC(=O)c1nc(-c2ccccc2)cc(-c2ccc(O)cc2)n1
InChIInChI=1S/C17H14N4O2/c18-21-17(23)16-19-14(11-4-2-1-3-5-11)10-15(20-16)12-6-8-13(22)9-7-12/h1-10,22H,18H2,(H,21,23)
InChIKeyNXMZOKFWVRTUHO-UHFFFAOYSA-N
XLogP2.12
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-6-phenylpyrimidine-2-carbohydrazide?
The IUPAC name of 4-(4-hydroxyphenyl)-6-phenylpyrimidine-2-carbohydrazide (CID 164618881) is 4-(4-hydroxyphenyl)-6-phenylpyrimidine-2-carbohydrazide.
What is the SMILES notation for 4-(4-hydroxyphenyl)-6-phenylpyrimidine-2-carbohydrazide?
The canonical SMILES for 4-(4-hydroxyphenyl)-6-phenylpyrimidine-2-carbohydrazide is NNC(=O)c1nc(-c2ccccc2)cc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-(4-hydroxyphenyl)-6-phenylpyrimidine-2-carbohydrazide?
The InChIKey is NXMZOKFWVRTUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c18-21-17(23)16-19-14(11-4-2-1-3-5-11)10-15(20-16)12-6-8-13(22)9-7-12/h1-10,22H,18H2,(H,21,23).
What are the key properties of 4-(4-hydroxyphenyl)-6-phenylpyrimidine-2-carbohydrazide?
4-(4-hydroxyphenyl)-6-phenylpyrimidine-2-carbohydrazide has a molecular weight of 306.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-6-phenylpyrimidine-2-carbohydrazide is sourced from PubChem (CID 164618881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).