N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

C22H24N4O3 — CID 109316103

IUPACN-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(Nc3ccc(C(C)C)cc3)n2)c1
InChIInChI=1S/C22H24N4O3/c1-14(2)15-5-7-16(8-6-15)24-22-23-12-11-18(26-22)21(27)25-19-13-17(28-3)9-10-20(19)29-4/h5-14H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyAFIBHFWPXWCYSQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.61
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109316103) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109316103
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(Nc3ccc(C(C)C)cc3)n2)c1
InChIInChI=1S/C22H24N4O3/c1-14(2)15-5-7-16(8-6-15)24-22-23-12-11-18(26-22)21(27)25-19-13-17(28-3)9-10-20(19)29-4/h5-14H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyAFIBHFWPXWCYSQ-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317470
N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304802
N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315277
N-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306411
N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318035
methyl 2-[[2-(4-propan-2-ylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109316110
2-(4-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317703
2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109295653
2-(3,4-dimethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317940
2-(4-chloroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316132
2-(2,5-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314928
2-(2,5-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315480

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109316103) is N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is COc1ccc(OC)c(NC(=O)c2ccnc(Nc3ccc(C(C)C)cc3)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is AFIBHFWPXWCYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(2)15-5-7-16(8-6-15)24-22-23-12-11-18(26-22)21(27)25-19-13-17(28-3)9-10-20(19)29-4/h5-14H,1-4H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).