N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

C16H19N5O2 — CID 109247206

IUPACN-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(NC(C)C)nc2)cc1
InChIInChI=1S/C16H19N5O2/c1-10(2)19-16-17-8-12(9-18-16)15(23)21-14-6-4-13(5-7-14)20-11(3)22/h4-10H,1-3H3,(H,20,22)(H,21,23)(H,17,18,19)
InChIKeyYGAJJZAJQQANTN-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.51
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 109247206) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID109247206
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(NC(C)C)nc2)cc1
InChIInChI=1S/C16H19N5O2/c1-10(2)19-16-17-8-12(9-18-16)15(23)21-14-6-4-13(5-7-14)20-11(3)22/h4-10H,1-3H3,(H,20,22)(H,21,23)(H,17,18,19)
InChIKeyYGAJJZAJQQANTN-UHFFFAOYSA-N
XLogP2.51
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247227
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265724
N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide
CID 109270119
N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247161
N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256548
N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265432
N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811
2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109249139
N-(4-hydroxyphenyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 84570460
N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247172
N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247233
N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247242

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (CID 109247206) is N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnc(NC(C)C)nc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is YGAJJZAJQQANTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10(2)19-16-17-8-12(9-18-16)15(23)21-14-6-4-13(5-7-14)20-11(3)22/h4-10H,1-3H3,(H,20,22)(H,21,23)(H,17,18,19).
What are the key properties of N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).