6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

C22H24N4O2 — CID 109357593

IUPAC6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)Nc3ccccc3C(C)C)ncn2)cc1
InChIInChI=1S/C22H24N4O2/c1-4-28-17-11-9-16(10-12-17)25-21-13-20(23-14-24-21)22(27)26-19-8-6-5-7-18(19)15(2)3/h5-15H,4H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyWPQNKMOVSCAUIL-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.99
Rot. Bonds7

About 6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109357593) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109357593
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)Nc3ccccc3C(C)C)ncn2)cc1
InChIInChI=1S/C22H24N4O2/c1-4-28-17-11-9-16(10-12-17)25-21-13-20(23-14-24-21)22(27)26-19-8-6-5-7-18(19)15(2)3/h5-15H,4H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyWPQNKMOVSCAUIL-UHFFFAOYSA-N
XLogP4.99
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357562
N-(2,4-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109356805
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931
N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109356887
N-(2,6-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109357133
N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356224
N-(4-ethoxyphenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220430
6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359086
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359090
N-(4-ethoxyphenyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500462
5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291932
6-(3-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359085

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109357593) is 6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is CCOc1ccc(Nc2cc(C(=O)Nc3ccccc3C(C)C)ncn2)cc1.
What is the InChIKey of 6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is WPQNKMOVSCAUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-28-17-11-9-16(10-12-17)25-21-13-20(23-14-24-21)22(27)26-19-8-6-5-7-18(19)15(2)3/h5-15H,4H2,1-3H3,(H,26,27)(H,23,24,25).
What are the key properties of 6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).