6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide

C18H23BrN4O — CID 112846884

IUPAC6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2ccc(C)cc2Br)nc(C)n1
InChIInChI=1S/C18H23BrN4O/c1-4-5-6-9-20-18(24)16-11-17(22-13(3)21-16)23-15-8-7-12(2)10-14(15)19/h7-8,10-11H,4-6,9H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyBGEWBDKPENQOLN-UHFFFAOYSA-N
MW391.31 g/mol
LogP4.52
Rot. Bonds7

About 6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide

6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide (PubChem CID 112846884) has the molecular formula C18H23BrN4O and a molecular weight of 391.31 g/mol. Its IUPAC name is 6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
PubChem CID112846884
Molecular FormulaC18H23BrN4O
Molecular Weight391.31 g/mol
Exact Mass390.11
IUPAC Name6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2ccc(C)cc2Br)nc(C)n1
InChIInChI=1S/C18H23BrN4O/c1-4-5-6-9-20-18(24)16-11-17(22-13(3)21-16)23-15-8-7-12(2)10-14(15)19/h7-8,10-11H,4-6,9H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyBGEWBDKPENQOLN-UHFFFAOYSA-N
XLogP4.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366304
6-(4-bromoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846850
2-(2-bromo-4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312167
6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
CID 109363399
5-(2-bromo-4-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272501
6-(2-tert-butylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846836
6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846855
6-(4-fluoroanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846839
2-(2-bromo-4-methylanilino)-N-butylpyrimidine-4-carboxamide
CID 109296661
6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846868
N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361834
6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360296

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide (CID 112846884) is 6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(Nc2ccc(C)cc2Br)nc(C)n1.
What is the InChIKey of 6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
The InChIKey is BGEWBDKPENQOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O/c1-4-5-6-9-20-18(24)16-11-17(22-13(3)21-16)23-15-8-7-12(2)10-14(15)19/h7-8,10-11H,4-6,9H2,1-3H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide has a molecular weight of 391.31 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 112846884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).