6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide

C15H18BrN5O — CID 109344377

IUPAC6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C15H18BrN5O/c1-21(2)7-6-17-15(22)13-9-14(19-10-18-13)20-12-5-3-4-11(16)8-12/h3-5,8-10H,6-7H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyULUGDDDYYXQWCZ-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.27
Rot. Bonds6

About 6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide

6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide (PubChem CID 109344377) has the molecular formula C15H18BrN5O and a molecular weight of 364.25 g/mol. Its IUPAC name is 6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
PubChem CID109344377
Molecular FormulaC15H18BrN5O
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC Name6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C15H18BrN5O/c1-21(2)7-6-17-15(22)13-9-14(19-10-18-13)20-12-5-3-4-11(16)8-12/h3-5,8-10H,6-7H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyULUGDDDYYXQWCZ-UHFFFAOYSA-N
XLogP2.27
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109344991
6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344392
6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344379
5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185426
6-(2,6-diethylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344323
6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338989
6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344404
6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356489
6-(2,3-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344397
N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109344929
6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109340918
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109344922

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide (CID 109344377) is 6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide is CN(C)CCNC(=O)c1cc(Nc2cccc(Br)c2)ncn1.
What is the InChIKey of 6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The InChIKey is ULUGDDDYYXQWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O/c1-21(2)7-6-17-15(22)13-9-14(19-10-18-13)20-12-5-3-4-11(16)8-12/h3-5,8-10H,6-7H2,1-2H3,(H,17,22)(H,18,19,20).
What are the key properties of 6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide has a molecular weight of 364.25 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109344377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).