N-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C23H26N4O2 — CID 112849208

IUPACN-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2OC(C)C)cc(C(=O)Nc2c(C)cccc2C)n1
InChIInChI=1S/C23H26N4O2/c1-14(2)29-20-12-7-6-11-18(20)26-21-13-19(24-17(5)25-21)23(28)27-22-15(3)9-8-10-16(22)4/h6-14H,1-5H3,(H,27,28)(H,24,25,26)
InChIKeyONSWGJDPDDGDQG-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.18
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

N-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 112849208) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID112849208
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2OC(C)C)cc(C(=O)Nc2c(C)cccc2C)n1
InChIInChI=1S/C23H26N4O2/c1-14(2)29-20-12-7-6-11-18(20)26-21-13-19(24-17(5)25-21)23(28)27-22-15(3)9-8-10-16(22)4/h6-14H,1-5H3,(H,27,28)(H,24,25,26)
InChIKeyONSWGJDPDDGDQG-UHFFFAOYSA-N
XLogP5.18
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 ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112850706
6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849211
6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 112850714
N-(2,6-dimethylphenyl)-6-(2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849207
N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112848591
azepan-1-yl-[2-methyl-6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 112847805
6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849713
6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109334845
6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360701
N-(2-chlorophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848065
N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850388
N-(2-ethylphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849362

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 112849208) is N-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2OC(C)C)cc(C(=O)Nc2c(C)cccc2C)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is ONSWGJDPDDGDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14(2)29-20-12-7-6-11-18(20)26-21-13-19(24-17(5)25-21)23(28)27-22-15(3)9-8-10-16(22)4/h6-14H,1-5H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112849208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).