N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide

C19H17BrN4O — CID 109256693

IUPACN-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(Br)cc2)nc1
InChIInChI=1S/C19H17BrN4O/c1-24(13-14-5-3-2-4-6-14)18(25)15-11-21-19(22-12-15)23-17-9-7-16(20)8-10-17/h2-12H,13H2,1H3,(H,21,22,23)
InChIKeyOMEPEJAGYHSDBK-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.25
Rot. Bonds5

About N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide

N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide (PubChem CID 109256693) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide
PubChem CID109256693
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(Br)cc2)nc1
InChIInChI=1S/C19H17BrN4O/c1-24(13-14-5-3-2-4-6-14)18(25)15-11-21-19(22-12-15)23-17-9-7-16(20)8-10-17/h2-12H,13H2,1H3,(H,21,22,23)
InChIKeyOMEPEJAGYHSDBK-UHFFFAOYSA-N
XLogP4.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-chloroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256684
N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide
CID 109256679
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-benzyl-2-(2-fluoroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256680
N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide
CID 109246693
N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide
CID 109256739
N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247874
N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109256687
N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide
CID 109156408
N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156390
N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109305157
N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109233085

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide (CID 109256693) is N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide is CN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(Br)cc2)nc1.
What is the InChIKey of N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide?
The InChIKey is OMEPEJAGYHSDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-24(13-14-5-3-2-4-6-14)18(25)15-11-21-19(22-12-15)23-17-9-7-16(20)8-10-17/h2-12H,13H2,1H3,(H,21,22,23).
What are the key properties of N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide?
N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 109256693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).