2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide

C15H12BrN5O2 — CID 109269397

IUPAC2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Nc3ccc(Br)cc3)nc2)no1
InChIInChI=1S/C15H12BrN5O2/c1-9-6-13(21-23-9)20-14(22)10-7-17-15(18-8-10)19-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18,19)(H,20,21,22)
InChIKeyCCKOHZDENHOEDI-UHFFFAOYSA-N
MW374.20 g/mol
LogP3.53
Rot. Bonds4

About 2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide

2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide (PubChem CID 109269397) has the molecular formula C15H12BrN5O2 and a molecular weight of 374.20 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
PubChem CID109269397
Molecular FormulaC15H12BrN5O2
Molecular Weight374.20 g/mol
Exact Mass373.02
IUPAC Name2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Nc3ccc(Br)cc3)nc2)no1
InChIInChI=1S/C15H12BrN5O2/c1-9-6-13(21-23-9)20-14(22)10-7-17-15(18-8-10)19-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18,19)(H,20,21,22)
InChIKeyCCKOHZDENHOEDI-UHFFFAOYSA-N
XLogP3.53
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.20
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109268924
6-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109163837
2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109270413
N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265801
N-[4-(dimethylamino)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270286
N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270417
2-(4-bromoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266398
N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270430
N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109177861
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270635
N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268536
ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carbonyl]amino]benzoate
CID 109270516

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide (CID 109269397) is 2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide is Cc1cc(NC(=O)c2cnc(Nc3ccc(Br)cc3)nc2)no1.
What is the InChIKey of 2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide?
The InChIKey is CCKOHZDENHOEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5O2/c1-9-6-13(21-23-9)20-14(22)10-7-17-15(18-8-10)19-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18,19)(H,20,21,22).
What are the key properties of 2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide?
2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide has a molecular weight of 374.20 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).