N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide

C22H23N5O2 — CID 109316027

IUPACN-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccnc(Nc3ccccc3C(C)C)n2)cc1
InChIInChI=1S/C22H23N5O2/c1-14(2)18-6-4-5-7-19(18)26-22-23-13-12-20(27-22)21(29)25-17-10-8-16(9-11-17)24-15(3)28/h4-14H,1-3H3,(H,24,28)(H,25,29)(H,23,26,27)
InChIKeyUOQKNRHTKAAPJU-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.55
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide

N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109316027) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109316027
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccnc(Nc3ccccc3C(C)C)n2)cc1
InChIInChI=1S/C22H23N5O2/c1-14(2)18-6-4-5-7-19(18)26-22-23-13-12-20(27-22)21(29)25-17-10-8-16(9-11-17)24-15(3)28/h4-14H,1-3H3,(H,24,28)(H,25,29)(H,23,26,27)
InChIKeyUOQKNRHTKAAPJU-UHFFFAOYSA-N
XLogP4.55
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-(2-propan-2-ylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109316030
2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314007
N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220437
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316079
N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109298132
N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316296
N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313546
N-(4-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315554
N-(4-tert-butylphenyl)-2-(2-chloroanilino)pyrimidine-4-carboxamide
CID 109316409
2-(2,3-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313512
2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109316733

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109316027) is N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccnc(Nc3ccccc3C(C)C)n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is UOQKNRHTKAAPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14(2)18-6-4-5-7-19(18)26-22-23-13-12-20(27-22)21(29)25-17-10-8-16(9-11-17)24-15(3)28/h4-14H,1-3H3,(H,24,28)(H,25,29)(H,23,26,27).
What are the key properties of N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).