4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide

C21H21N5O2 — CID 58205190

IUPAC4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide
SMILESCNc1cc(NC(=O)c2ccc(C)cc2)nc(NC(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C21H21N5O2/c1-13-4-8-15(9-5-13)19(27)23-18-12-17(22-3)24-21(25-18)26-20(28)16-10-6-14(2)7-11-16/h4-12H,1-3H3,(H3,22,23,24,25,26,27,28)
InChIKeyOEMDBCFVQLVIOM-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.64
Rot. Bonds5

About 4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide

4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide (PubChem CID 58205190) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide
PubChem CID58205190
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide
SMILESCNc1cc(NC(=O)c2ccc(C)cc2)nc(NC(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C21H21N5O2/c1-13-4-8-15(9-5-13)19(27)23-18-12-17(22-3)24-21(25-18)26-20(28)16-10-6-14(2)7-11-16/h4-12H,1-3H3,(H3,22,23,24,25,26,27,28)
InChIKeyOEMDBCFVQLVIOM-UHFFFAOYSA-N
XLogP3.64
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide
CID 58205176
1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 58205221
4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 58205174
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 66810040
N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide
CID 58205233
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide
CID 27046784
N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
CID 58205209
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide
CID 58205178
N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide
CID 3783171
N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide
CID 115750615
4-chloro-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090463

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide?
The IUPAC name of 4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide (CID 58205190) is 4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide?
The canonical SMILES for 4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide is CNc1cc(NC(=O)c2ccc(C)cc2)nc(NC(=O)c2ccc(C)cc2)n1.
What is the InChIKey of 4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide?
The InChIKey is OEMDBCFVQLVIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-4-8-15(9-5-13)19(27)23-18-12-17(22-3)24-21(25-18)26-20(28)16-10-6-14(2)7-11-16/h4-12H,1-3H3,(H3,22,23,24,25,26,27,28).
What are the key properties of 4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide?
4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide has a molecular weight of 375.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 58205190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).