4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide

C20H21N5O — CID 90337576

IUPAC4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide
SMILESCc1ccc(C(N)=O)cc1Nc1ncc(C)c(Nc2ccccc2C)n1
InChIInChI=1S/C20H21N5O/c1-12-6-4-5-7-16(12)23-19-14(3)11-22-20(25-19)24-17-10-15(18(21)26)9-8-13(17)2/h4-11H,1-3H3,(H2,21,26)(H2,22,23,24,25)
InChIKeyOHEXICNQEXLXIH-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.99
Rot. Bonds5

About 4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide

4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide (PubChem CID 90337576) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide
PubChem CID90337576
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide
SMILESCc1ccc(C(N)=O)cc1Nc1ncc(C)c(Nc2ccccc2C)n1
InChIInChI=1S/C20H21N5O/c1-12-6-4-5-7-16(12)23-19-14(3)11-22-20(25-19)24-17-10-15(18(21)26)9-8-13(17)2/h4-11H,1-3H3,(H2,21,26)(H2,22,23,24,25)
InChIKeyOHEXICNQEXLXIH-UHFFFAOYSA-N
XLogP3.99
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 22060421
4-methyl-3-[[4-[2-(propanoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 162575974
ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide
CID 167512450
4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide
CID 143694634
3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide
CID 153321752
2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
CID 5271601
3-[[4-[[(1S,2S)-2-acetamidocyclopentyl]amino]-5-chloropyrimidin-2-yl]amino]-4-methylbenzamide
CID 129132685
3-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-N,N,4-trimethylbenzamide
CID 51347224
3-[[5-chloro-4-[[(1R,2S)-2-(prop-2-enoylamino)cyclohexyl]amino]pyrimidin-2-yl]amino]-4-methylbenzamide
CID 90331101
5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine
CID 22060710
3-[[5-chloro-4-[2-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]-4-ethylbenzamide
CID 90330992
3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide
CID 157018298

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide (CID 90337576) is 4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide is Cc1ccc(C(N)=O)cc1Nc1ncc(C)c(Nc2ccccc2C)n1.
What is the InChIKey of 4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide?
The InChIKey is OHEXICNQEXLXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-12-6-4-5-7-16(12)23-19-14(3)11-22-20(25-19)24-17-10-15(18(21)26)9-8-13(17)2/h4-11H,1-3H3,(H2,21,26)(H2,22,23,24,25).
What are the key properties of 4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide?
4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 90337576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).