5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid

C18H15N3O2 — CID 70132617

IUPAC5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid
SMILESCNc1c(C(=O)O)nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H15N3O2/c1-19-15-14(12-8-4-2-5-9-12)20-17(21-16(15)18(22)23)13-10-6-3-7-11-13/h2-11,19H,1H3,(H,22,23)
InChIKeyFXYLGQXDFYKKEZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.55
Rot. Bonds4

About 5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid

5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid (PubChem CID 70132617) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid
PubChem CID70132617
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid
SMILESCNc1c(C(=O)O)nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H15N3O2/c1-19-15-14(12-8-4-2-5-9-12)20-17(21-16(15)18(22)23)13-10-6-3-7-11-13/h2-11,19H,1H3,(H,22,23)
InChIKeyFXYLGQXDFYKKEZ-UHFFFAOYSA-N
XLogP3.55
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

diphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid
CID 70132616
5-methoxy-2,6-diphenylpyrimidine-4-carboxylic acid
CID 135012181
1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone
CID 138970267
phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone
CID 12782476
4-[6-butanimidoyl-5-(methylamino)-2-phenylpyrimidin-4-yl]-2-methylphenol
CID 143258450
4-methyl-2,6-diphenylpyrimidin-5-ol
CID 135012179
N-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide
CID 86260174
N-ethyl-2,4-diphenylpyrimidine-5-carboxamide
CID 1470755
N-[4-(4-phenylquinazolin-2-yl)phenyl]acetamide
CID 4523406
3,4-diphenyl-1,2-oxazole-5-carboxylic acid
CID 129078640
6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid
CID 94962038
2,5,6-triphenyl-N-propan-2-ylpyrimidin-4-amine
CID 13177449

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid (CID 70132617) is 5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid is CNc1c(C(=O)O)nc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid?
The InChIKey is FXYLGQXDFYKKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-19-15-14(12-8-4-2-5-9-12)20-17(21-16(15)18(22)23)13-10-6-3-7-11-13/h2-11,19H,1H3,(H,22,23).
What are the key properties of 5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid?
5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid has a molecular weight of 305.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 70132617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).