6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

C23H26N4O2 — CID 112849615

IUPAC6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1cc(C(=O)Nc2ccccc2C(C)C)nc(C)n1
InChIInChI=1S/C23H26N4O2/c1-14(2)17-8-6-7-9-18(17)27-23(28)20-13-22(25-16(4)24-20)26-19-12-15(3)10-11-21(19)29-5/h6-14H,1-5H3,(H,27,28)(H,24,25,26)
InChIKeyANTCTYZHYVNBAN-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.22
Rot. Bonds6

About 6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 112849615) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID112849615
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1cc(C(=O)Nc2ccccc2C(C)C)nc(C)n1
InChIInChI=1S/C23H26N4O2/c1-14(2)17-8-6-7-9-18(17)27-23(28)20-13-22(25-16(4)24-20)26-19-12-15(3)10-11-21(19)29-5/h6-14H,1-5H3,(H,27,28)(H,24,25,26)
InChIKeyANTCTYZHYVNBAN-UHFFFAOYSA-N
XLogP5.22
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-6-(2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849207
6-(2,4-dimethylanilino)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848847
6-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850197
6-(2-methoxy-5-methylanilino)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 112850686
2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109360676
6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848881
N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848921
6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849834
6-(2-methoxy-5-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368680
N-(2-ethylphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849362
N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848850
6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849625

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 112849615) is 6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is COc1ccc(C)cc1Nc1cc(C(=O)Nc2ccccc2C(C)C)nc(C)n1.
What is the InChIKey of 6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is ANTCTYZHYVNBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14(2)17-8-6-7-9-18(17)27-23(28)20-13-22(25-16(4)24-20)26-19-12-15(3)10-11-21(19)29-5/h6-14H,1-5H3,(H,27,28)(H,24,25,26).
What are the key properties of 6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112849615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).