N-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide

C18H23BrN4O — CID 109333387

IUPACN-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1nc(C)cc(C(=O)Nc2ccc(C)cc2Br)n1
InChIInChI=1S/C18H23BrN4O/c1-4-5-6-9-20-18-21-13(3)11-16(23-18)17(24)22-15-8-7-12(2)10-14(15)19/h7-8,10-11H,4-6,9H2,1-3H3,(H,22,24)(H,20,21,23)
InChIKeyMJRHPUBPUMIXDS-UHFFFAOYSA-N
MW391.31 g/mol
LogP4.71
Rot. Bonds7

About N-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide

N-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide (PubChem CID 109333387) has the molecular formula C18H23BrN4O and a molecular weight of 391.31 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
PubChem CID109333387
Molecular FormulaC18H23BrN4O
Molecular Weight391.31 g/mol
Exact Mass390.11
IUPAC NameN-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1nc(C)cc(C(=O)Nc2ccc(C)cc2Br)n1
InChIInChI=1S/C18H23BrN4O/c1-4-5-6-9-20-18-21-13(3)11-16(23-18)17(24)22-15-8-7-12(2)10-14(15)19/h7-8,10-11H,4-6,9H2,1-3H3,(H,22,24)(H,20,21,23)
InChIKeyMJRHPUBPUMIXDS-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-methylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320194
N-(2,5-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318959
N-(2-bromo-4-methylphenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354489
N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323995
N-(3,5-dichlorophenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109333401
6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109333333
2-[3-(dimethylamino)propylamino]-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109325473
2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109320503
N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318989
N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109332465
2-(butylamino)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109320553
2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320526

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide (CID 109333387) is N-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide is CCCCCNc1nc(C)cc(C(=O)Nc2ccc(C)cc2Br)n1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide?
The InChIKey is MJRHPUBPUMIXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O/c1-4-5-6-9-20-18-21-13(3)11-16(23-18)17(24)22-15-8-7-12(2)10-14(15)19/h7-8,10-11H,4-6,9H2,1-3H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide?
N-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide has a molecular weight of 391.31 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109333387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).