6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide

C17H22BrN5O — CID 109366304

IUPAC6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCCN(C)C)nc(C)n2)c(Br)c1
InChIInChI=1S/C17H22BrN5O/c1-11-5-6-14(13(18)9-11)22-16-10-15(20-12(2)21-16)17(24)19-7-8-23(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,19,24)(H,20,21,22)
InChIKeyQCDCNJAJTYMVJI-UHFFFAOYSA-N
MW392.30 g/mol
LogP2.89
Rot. Bonds6

About 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide

6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109366304) has the molecular formula C17H22BrN5O and a molecular weight of 392.30 g/mol. Its IUPAC name is 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109366304
Molecular FormulaC17H22BrN5O
Molecular Weight392.30 g/mol
Exact Mass391.10
IUPAC Name6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCCN(C)C)nc(C)n2)c(Br)c1
InChIInChI=1S/C17H22BrN5O/c1-11-5-6-14(13(18)9-11)22-16-10-15(20-12(2)21-16)17(24)19-7-8-23(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,19,24)(H,20,21,22)
InChIKeyQCDCNJAJTYMVJI-UHFFFAOYSA-N
XLogP2.89
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846884
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115475
6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
CID 109363399
methyl 2-[[6-[2-(dimethylamino)ethylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109366288
N-[2-(dimethylamino)ethyl]-2-methyl-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109366171
6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366285
6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366328
4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207857
1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea
CID 108988244
N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109366300
6-(3-chloro-4-fluoroanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366264
6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366792

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide (CID 109366304) is 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NCCN(C)C)nc(C)n2)c(Br)c1.
What is the InChIKey of 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is QCDCNJAJTYMVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5O/c1-11-5-6-14(13(18)9-11)22-16-10-15(20-12(2)21-16)17(24)19-7-8-23(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,19,24)(H,20,21,22).
What are the key properties of 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide?
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 392.30 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109366304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).