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

C18H16N4O — CID 109355800

IUPAC6-(N-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1cc(C(=O)Nc2ccccc2)ncn1
InChIInChI=1S/C18H16N4O/c1-22(15-10-6-3-7-11-15)17-12-16(19-13-20-17)18(23)21-14-8-4-2-5-9-14/h2-13H,1H3,(H,21,23)
InChIKeyJQVLIRMVUCXKQE-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.50
Rot. Bonds4

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

6-(N-methylanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109355800) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-(N-methylanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(N-methylanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109355800
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name6-(N-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1cc(C(=O)Nc2ccccc2)ncn1
InChIInChI=1S/C18H16N4O/c1-22(15-10-6-3-7-11-15)17-12-16(19-13-20-17)18(23)21-14-8-4-2-5-9-14/h2-13H,1H3,(H,21,23)
InChIKeyJQVLIRMVUCXKQE-UHFFFAOYSA-N
XLogP3.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(N-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(N-methylanilino)-N-phenylpyrimidine-4-carboxamide (CID 109355800) is 6-(N-methylanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(N-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(N-methylanilino)-N-phenylpyrimidine-4-carboxamide is CN(c1ccccc1)c1cc(C(=O)Nc2ccccc2)ncn1.
What is the InChIKey of 6-(N-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is JQVLIRMVUCXKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-22(15-10-6-3-7-11-15)17-12-16(19-13-20-17)18(23)21-14-8-4-2-5-9-14/h2-13H,1H3,(H,21,23).
What are the key properties of 6-(N-methylanilino)-N-phenylpyrimidine-4-carboxamide?
6-(N-methylanilino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-methylanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109355800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).