4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide

C26H24ClN5O2 — CID 143694634

IUPAC4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide
SMILESCOc1cc(-c2ccc(C(N)=O)cc2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2C)n1
InChIInChI=1S/C26H24ClN5O2/c1-15-6-4-5-7-21(15)30-25-20(27)14-29-26(32-25)31-22-12-16(2)19(13-23(22)34-3)17-8-10-18(11-9-17)24(28)33/h4-14H,1-3H3,(H2,28,33)(H2,29,30,31,32)
InChIKeyLAIMMLZOEJETDE-UHFFFAOYSA-N
MW473.96 g/mol
LogP6.01
Rot. Bonds7

About 4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide

4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide (PubChem CID 143694634) has the molecular formula C26H24ClN5O2 and a molecular weight of 473.96 g/mol. Its IUPAC name is 4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide.

Molecular Properties

Compound Name4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide
PubChem CID143694634
Molecular FormulaC26H24ClN5O2
Molecular Weight473.96 g/mol
Exact Mass473.16
IUPAC Name4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide
SMILESCOc1cc(-c2ccc(C(N)=O)cc2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2C)n1
InChIInChI=1S/C26H24ClN5O2/c1-15-6-4-5-7-21(15)30-25-20(27)14-29-26(32-25)31-22-12-16(2)19(13-23(22)34-3)17-8-10-18(11-9-17)24(28)33/h4-14H,1-3H3,(H2,28,33)(H2,29,30,31,32)
InChIKeyLAIMMLZOEJETDE-UHFFFAOYSA-N
XLogP6.01
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.96
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]phenyl]ethanone
CID 143694729
4-N-[2-(1-aminoethenyl)-3-pyridinyl]-5-chloro-2-N-[2-methoxy-5-methyl-4-[4-[1-(methylamino)ethenyl]phenyl]phenyl]pyrimidine-2,4-diamine
CID 89203301
2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 59764481
2-[[2-[4-(4-carbamoylphenyl)-2-fluoro-5-methylanilino]-5-chloropyrimidin-4-yl]amino]-N-cyclopropylbenzamide
CID 25265411
methyl 4-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1-methylpyrrole-2-carboxylate
CID 25265404
5-bromo-2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine
CID 22060571
5-chloro-2-N-[2-methoxy-5-methyl-4-[4-[1-(methylamino)but-1-enyl]phenyl]phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 143775037
4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide
CID 90337576
N-[4-[4-[[5-chloro-4-(2-morpholin-4-ylsulfonylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]phenyl]propanamide
CID 25160284
4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzamide
CID 25263883
5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 155665811
4-[4-[[4-amino-5-chloro-6-(2-methylsulfonylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide
CID 25254124

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide?
The IUPAC name of 4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide (CID 143694634) is 4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide.
What is the SMILES notation for 4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide?
The canonical SMILES for 4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide is COc1cc(-c2ccc(C(N)=O)cc2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2C)n1.
What is the InChIKey of 4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide?
The InChIKey is LAIMMLZOEJETDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2/c1-15-6-4-5-7-21(15)30-25-20(27)14-29-26(32-25)31-22-12-16(2)19(13-23(22)34-3)17-8-10-18(11-9-17)24(28)33/h4-14H,1-3H3,(H2,28,33)(H2,29,30,31,32).
What are the key properties of 4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide?
4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide has a molecular weight of 473.96 g/mol, XLogP of 6.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide is sourced from PubChem (CID 143694634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).