N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide

C16H14BrN5O2 — CID 109270430

IUPACN-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3cc(C)on3)nc2)c(Br)c1
InChIInChI=1S/C16H14BrN5O2/c1-9-3-4-13(12(17)5-9)20-15(23)11-7-18-16(19-8-11)21-14-6-10(2)24-22-14/h3-8H,1-2H3,(H,20,23)(H,18,19,21,22)
InChIKeyLNPXMYXJRSBONQ-UHFFFAOYSA-N
MW388.23 g/mol
LogP3.84
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide

N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide (PubChem CID 109270430) has the molecular formula C16H14BrN5O2 and a molecular weight of 388.23 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
PubChem CID109270430
Molecular FormulaC16H14BrN5O2
Molecular Weight388.23 g/mol
Exact Mass387.03
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3cc(C)on3)nc2)c(Br)c1
InChIInChI=1S/C16H14BrN5O2/c1-9-3-4-13(12(17)5-9)20-15(23)11-7-18-16(19-8-11)21-14-6-10(2)24-22-14/h3-8H,1-2H3,(H,20,23)(H,18,19,21,22)
InChIKeyLNPXMYXJRSBONQ-UHFFFAOYSA-N
XLogP3.84
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270417
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109269397
N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247618
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270635
N-[4-(dimethylamino)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270286
N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
CID 110862940
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270671
N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973713
2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109268924
ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carbonyl]amino]benzoate
CID 109270516
N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7929866

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide (CID 109270430) is N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(Nc3cc(C)on3)nc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is LNPXMYXJRSBONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O2/c1-9-3-4-13(12(17)5-9)20-15(23)11-7-18-16(19-8-11)21-14-6-10(2)24-22-14/h3-8H,1-2H3,(H,20,23)(H,18,19,21,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide?
N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 388.23 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109270430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).