6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide

C22H24N4O3 — CID 109357540

IUPAC6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(Nc2ccc(OC)cc2OC)ncn1
InChIInChI=1S/C22H24N4O3/c1-5-15-8-6-7-14(2)21(15)26-22(27)18-12-20(24-13-23-18)25-17-10-9-16(28-3)11-19(17)29-4/h6-13H,5H2,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyDFUAXIGREUXCFL-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.36
Rot. Bonds7

About 6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide

6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109357540) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109357540
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(Nc2ccc(OC)cc2OC)ncn1
InChIInChI=1S/C22H24N4O3/c1-5-15-8-6-7-14(2)21(15)26-22(27)18-12-20(24-13-23-18)25-17-10-9-16(28-3)11-19(17)29-4/h6-13H,5H2,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyDFUAXIGREUXCFL-UHFFFAOYSA-N
XLogP4.36
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267735
6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355840
6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849211
6-(4-chloro-2-methylanilino)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109358426
6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109357545
6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357128
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358796
N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109357553
2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8965693
4-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220005
6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355812
N-(2-ethyl-6-methylphenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109291856

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide (CID 109357540) is 6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide is CCc1cccc(C)c1NC(=O)c1cc(Nc2ccc(OC)cc2OC)ncn1.
What is the InChIKey of 6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is DFUAXIGREUXCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-5-15-8-6-7-14(2)21(15)26-22(27)18-12-20(24-13-23-18)25-17-10-9-16(28-3)11-19(17)29-4/h6-13H,5H2,1-4H3,(H,26,27)(H,23,24,25).
What are the key properties of 6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide?
6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).