6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide

C15H17BrN4O — CID 109340918

IUPAC6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C15H17BrN4O/c1-3-10(2)19-15(21)13-8-14(18-9-17-13)20-12-6-4-5-11(16)7-12/h4-10H,3H2,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyGEYSJVOXFLMLQS-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.51
Rot. Bonds5

About 6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide

6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide (PubChem CID 109340918) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
PubChem CID109340918
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C15H17BrN4O/c1-3-10(2)19-15(21)13-8-14(18-9-17-13)20-12-6-4-5-11(16)7-12/h4-10H,3H2,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyGEYSJVOXFLMLQS-UHFFFAOYSA-N
XLogP3.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338989
N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340731
6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109340900
N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109340845
6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344377
N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109340865
6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109344991
6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359672
methyl 2-[[6-(butan-2-ylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109340901
3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193173
[6-(3-bromoanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341775
N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109111624

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide (CID 109340918) is 6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(Nc2cccc(Br)c2)ncn1.
What is the InChIKey of 6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide?
The InChIKey is GEYSJVOXFLMLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-3-10(2)19-15(21)13-8-14(18-9-17-13)20-12-6-4-5-11(16)7-12/h4-10H,3H2,1-2H3,(H,19,21)(H,17,18,20).
What are the key properties of 6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide?
6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109340918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).