6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide

C16H19BrN4O — CID 109373487

IUPAC6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2cccc(Br)c2)nc(C)n1
InChIInChI=1S/C16H19BrN4O/c1-4-21(5-2)16(22)14-10-15(19-11(3)18-14)20-13-8-6-7-12(17)9-13/h6-10H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyXIZBIHIFTXQMLX-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.77
Rot. Bonds5

About 6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide

6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide (PubChem CID 109373487) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
PubChem CID109373487
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2cccc(Br)c2)nc(C)n1
InChIInChI=1S/C16H19BrN4O/c1-4-21(5-2)16(22)14-10-15(19-11(3)18-14)20-13-8-6-7-12(17)9-13/h6-10H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyXIZBIHIFTXQMLX-UHFFFAOYSA-N
XLogP3.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124484
6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373516
6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112848016
6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846670
[6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 75538843
N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112847031
6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112849535
N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109373430
2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 112847563
2-methyl-6-(3-methylanilino)pyrimidine-4-carboxylic acid
CID 82293662
6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine
CID 112868378
2-[[6-(3-bromoanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194948

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide (CID 109373487) is 6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(Nc2cccc(Br)c2)nc(C)n1.
What is the InChIKey of 6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The InChIKey is XIZBIHIFTXQMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-4-21(5-2)16(22)14-10-15(19-11(3)18-14)20-13-8-6-7-12(17)9-13/h6-10H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109373487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).