N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide

C18H15BrN4O — CID 109255341

IUPACN-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(Nc2cccc(Br)c2)nc1
InChIInChI=1S/C18H15BrN4O/c19-15-7-4-8-16(9-15)23-18-21-11-14(12-22-18)17(24)20-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,20,24)(H,21,22,23)
InChIKeyUDWQCNFMCJPKJM-UHFFFAOYSA-N
MW383.25 g/mol
LogP3.91
Rot. Bonds5

About N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide

N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide (PubChem CID 109255341) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide
PubChem CID109255341
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC NameN-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(Nc2cccc(Br)c2)nc1
InChIInChI=1S/C18H15BrN4O/c19-15-7-4-8-16(9-15)23-18-21-11-14(12-22-18)17(24)20-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,20,24)(H,21,22,23)
InChIKeyUDWQCNFMCJPKJM-UHFFFAOYSA-N
XLogP3.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(3-bromo-4-methylanilino)pyrimidine-5-carboxamide
CID 109255309
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259140
2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide
CID 109255327
2-(1,3-benzodioxol-5-ylamino)-N-benzylpyrimidine-5-carboxamide
CID 109255345
2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259417
N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide
CID 23632442
2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256149
methyl 3-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109257227
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259175
N-benzyl-3-(pyrazin-2-ylamino)benzamide
CID 117091377

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide (CID 109255341) is N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide is O=C(NCc1ccccc1)c1cnc(Nc2cccc(Br)c2)nc1.
What is the InChIKey of N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide?
The InChIKey is UDWQCNFMCJPKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c19-15-7-4-8-16(9-15)23-18-21-11-14(12-22-18)17(24)20-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,20,24)(H,21,22,23).
What are the key properties of N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide?
N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109255341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).