6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide

C18H15N3O2 — CID 121167320

IUPAC6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2ccccc2)ncn1
InChIInChI=1S/C18H15N3O2/c1-23-17-11-16(19-12-20-17)18(22)21-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-12H,1H3,(H,21,22)
InChIKeyWGOVLEVLDXQEHU-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.40
Rot. Bonds4

About 6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide

6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide (PubChem CID 121167320) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide
PubChem CID121167320
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2ccccc2)ncn1
InChIInChI=1S/C18H15N3O2/c1-23-17-11-16(19-12-20-17)18(22)21-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-12H,1H3,(H,21,22)
InChIKeyWGOVLEVLDXQEHU-UHFFFAOYSA-N
XLogP3.40
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 121167294
N-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91628590
ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167291
6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 121167255
N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167268
methyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate
CID 121167403
N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167280
N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167315
N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167671
6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 91816253
6-methoxypyrimidine-4-carboxylic acid
CID 3300297
6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
CID 121167413

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide (CID 121167320) is 6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide is COc1cc(C(=O)Nc2ccccc2-c2ccccc2)ncn1.
What is the InChIKey of 6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide?
The InChIKey is WGOVLEVLDXQEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-23-17-11-16(19-12-20-17)18(22)21-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-12H,1H3,(H,21,22).
What are the key properties of 6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide?
6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 121167320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).