N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide

C15H15BrN4O — CID 109247618

IUPACN-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NC3CC3)nc2)c(Br)c1
InChIInChI=1S/C15H15BrN4O/c1-9-2-5-13(12(16)6-9)20-14(21)10-7-17-15(18-8-10)19-11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyFRACOFZAIQGLPF-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.37
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide

N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide (PubChem CID 109247618) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide
PubChem CID109247618
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NC3CC3)nc2)c(Br)c1
InChIInChI=1S/C15H15BrN4O/c1-9-2-5-13(12(16)6-9)20-14(21)10-7-17-15(18-8-10)19-11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyFRACOFZAIQGLPF-UHFFFAOYSA-N
XLogP3.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166381
N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
CID 110862940
N-(2-bromo-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249495
N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270430
N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274228
N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973713
N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7929866
2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109247554
N-(2,5-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260870
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249823
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250566

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide (CID 109247618) is N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(NC3CC3)nc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The InChIKey is FRACOFZAIQGLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-9-2-5-13(12(16)6-9)20-14(21)10-7-17-15(18-8-10)19-11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide?
N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide has a molecular weight of 347.22 g/mol, XLogP of 3.37, 4 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)-2-(cyclopropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).