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

C16H20BrN5O — CID 109344991

IUPAC6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C16H20BrN5O/c1-22(2)8-4-7-18-16(23)14-10-15(20-11-19-14)21-13-6-3-5-12(17)9-13/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyDIZBXUZSXXYAMB-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.66
Rot. Bonds7

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

6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide (PubChem CID 109344991) has the molecular formula C16H20BrN5O and a molecular weight of 378.27 g/mol. Its IUPAC name is 6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
PubChem CID109344991
Molecular FormulaC16H20BrN5O
Molecular Weight378.27 g/mol
Exact Mass377.09
IUPAC Name6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C16H20BrN5O/c1-22(2)8-4-7-18-16(23)14-10-15(20-11-19-14)21-13-6-3-5-12(17)9-13/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyDIZBXUZSXXYAMB-UHFFFAOYSA-N
XLogP2.66
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344377
N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109344929
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109344922
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344684
6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338989
N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109344935
6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356489
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
6-(3-acetylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354575
5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185426
6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109340918

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide (CID 109344991) is 6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide is CN(C)CCCNC(=O)c1cc(Nc2cccc(Br)c2)ncn1.
What is the InChIKey of 6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide?
The InChIKey is DIZBXUZSXXYAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O/c1-22(2)8-4-7-18-16(23)14-10-15(20-11-19-14)21-13-6-3-5-12(17)9-13/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,18,23)(H,19,20,21).
What are the key properties of 6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide?
6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109344991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).