N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide

C22H23N5O — CID 122296060

IUPACN-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)C4CC4)cc3)n2)cc1
InChIInChI=1S/C22H23N5O/c1-14-3-7-19(8-4-14)26-22-23-15(2)13-20(27-22)24-17-9-11-18(12-10-17)25-21(28)16-5-6-16/h3-4,7-13,16H,5-6H2,1-2H3,(H,25,28)(H2,23,24,26,27)
InChIKeyVMLLQCPHXUUFHH-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.93
Rot. Bonds6

About N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide

N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 122296060) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
PubChem CID122296060
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)C4CC4)cc3)n2)cc1
InChIInChI=1S/C22H23N5O/c1-14-3-7-19(8-4-14)26-22-23-15(2)13-20(27-22)24-17-9-11-18(12-10-17)25-21(28)16-5-6-16/h3-4,7-13,16H,5-6H2,1-2H3,(H,25,28)(H2,23,24,26,27)
InChIKeyVMLLQCPHXUUFHH-UHFFFAOYSA-N
XLogP4.93
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
1-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]-3-phenylurea
CID 18566756
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]cyclopentanecarboxamide
CID 121032303
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]cyclohexanecarboxamide
CID 27478105
N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide
CID 18566649
2-(1-adamantyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122296137
1-(3-bromophenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122296163
4-chloro-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090463
2-iodo-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090495
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide
CID 18566685
2,4-dichloro-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090464
N-[4-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931519

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide (CID 122296060) is N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide is Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)C4CC4)cc3)n2)cc1.
What is the InChIKey of N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is VMLLQCPHXUUFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-14-3-7-19(8-4-14)26-22-23-15(2)13-20(27-22)24-17-9-11-18(12-10-17)25-21(28)16-5-6-16/h3-4,7-13,16H,5-6H2,1-2H3,(H,25,28)(H2,23,24,26,27).
What are the key properties of N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide?
N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 122296060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).