2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide

C19H17BrN4O — CID 109303716

IUPAC2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCc3ccccc3)n2)c(Br)c1
InChIInChI=1S/C19H17BrN4O/c1-13-7-8-16(15(20)11-13)23-18(25)17-9-10-21-19(24-17)22-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyUOINYSQZOQOBLX-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.41
Rot. Bonds5

About 2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide

2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109303716) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109303716
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCc3ccccc3)n2)c(Br)c1
InChIInChI=1S/C19H17BrN4O/c1-13-7-8-16(15(20)11-13)23-18(25)17-9-10-21-19(24-17)22-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyUOINYSQZOQOBLX-UHFFFAOYSA-N
XLogP4.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307504
N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313868
2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305976
N-(2,4-dimethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310960
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
N-(2-bromophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314730
N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303959
N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109304225
N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307837
methyl 2-[[2-(benzylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109303702
N-(2-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307498
N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213210

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide (CID 109303716) is 2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(NCc3ccccc3)n2)c(Br)c1.
What is the InChIKey of 2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is UOINYSQZOQOBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-7-8-16(15(20)11-13)23-18(25)17-9-10-21-19(24-17)22-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide?
2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).