N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109315477

IUPACN-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1nccc(C(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C21H22N4O2/c1-13-8-9-19(27-4)18(12-13)25-21-22-11-10-17(24-21)20(26)23-16-7-5-6-14(2)15(16)3/h5-12H,1-4H3,(H,23,26)(H,22,24,25)
InChIKeyXFZSYRSEDDVHFX-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.41
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide

N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109315477) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
PubChem CID109315477
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1nccc(C(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C21H22N4O2/c1-13-8-9-19(27-4)18(12-13)25-21-22-11-10-17(24-21)20(26)23-16-7-5-6-14(2)15(16)3/h5-12H,1-4H3,(H,23,26)(H,22,24,25)
InChIKeyXFZSYRSEDDVHFX-UHFFFAOYSA-N
XLogP4.41
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315480
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336145
2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109316717
2-(2,5-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314928
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109315415
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
2-(3,4-dimethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317940
2-[(3,4-dimethoxyphenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109309861
2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304129
2-(2,4-difluoroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317953
2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304398
N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315277

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide (CID 109315477) is N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide is COc1ccc(C)cc1Nc1nccc(C(=O)Nc2cccc(C)c2C)n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is XFZSYRSEDDVHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-8-9-19(27-4)18(12-13)25-21-22-11-10-17(24-21)20(26)23-16-7-5-6-14(2)15(16)3/h5-12H,1-4H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).