2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide

C22H23N5O2 — CID 109313668

IUPAC2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccccc1Nc1nccc(C(=O)Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C22H23N5O2/c1-16-6-2-3-7-17(16)25-22-23-11-10-19(26-22)21(28)24-18-8-4-5-9-20(18)27-12-14-29-15-13-27/h2-11H,12-15H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyVPRRGLINXOJKJJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.62
Rot. Bonds5

About 2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide

2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109313668) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109313668
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccccc1Nc1nccc(C(=O)Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C22H23N5O2/c1-16-6-2-3-7-17(16)25-22-23-11-10-19(26-22)21(28)24-18-8-4-5-9-20(18)27-12-14-29-15-13-27/h2-11H,12-15H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyVPRRGLINXOJKJJ-UHFFFAOYSA-N
XLogP3.62
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109316472
4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109219045
2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295475
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362
N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide
CID 110862406
2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313797
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
6-methyl-N-(2-morpholin-4-ylphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109319018
2-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194788
2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296974
4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112889811

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide (CID 109313668) is 2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide is Cc1ccccc1Nc1nccc(C(=O)Nc2ccccc2N2CCOCC2)n1.
What is the InChIKey of 2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is VPRRGLINXOJKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-16-6-2-3-7-17(16)25-22-23-11-10-19(26-22)21(28)24-18-8-4-5-9-20(18)27-12-14-29-15-13-27/h2-11H,12-15H2,1H3,(H,24,28)(H,23,25,26).
What are the key properties of 2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).