N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

C15H17BrN4O — CID 109247227

IUPACN-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(NC(C)C)nc2)ccc1Br
InChIInChI=1S/C15H17BrN4O/c1-9(2)19-15-17-7-11(8-18-15)14(21)20-12-4-5-13(16)10(3)6-12/h4-9H,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyZPBNYCAQJHGUQK-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.62
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 109247227) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID109247227
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(NC(C)C)nc2)ccc1Br
InChIInChI=1S/C15H17BrN4O/c1-9(2)19-15-17-7-11(8-18-15)14(21)20-12-4-5-13(16)10(3)6-12/h4-9H,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyZPBNYCAQJHGUQK-UHFFFAOYSA-N
XLogP3.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109265249
N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247206
N-(4-bromo-3-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 109259353
2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109255502
N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256532
6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 55036943
5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide
CID 47460528
N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247161
2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266734
N-(4-bromo-3-methylphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109266029
N-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 114820847
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (CID 109247227) is N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is Cc1cc(NC(=O)c2cnc(NC(C)C)nc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is ZPBNYCAQJHGUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-9(2)19-15-17-7-11(8-18-15)14(21)20-12-4-5-13(16)10(3)6-12/h4-9H,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).