4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide

C13H13BrN4O — CID 112751747

IUPAC4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide
SMILESCc1ccc(Br)cc1-c1nc(C)c(C(N)=O)c(N)n1
InChIInChI=1S/C13H13BrN4O/c1-6-3-4-8(14)5-9(6)13-17-7(2)10(12(16)19)11(15)18-13/h3-5H,1-2H3,(H2,16,19)(H2,15,17,18)
InChIKeySIJFVDZIQSRAII-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.20
Rot. Bonds2

About 4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide

4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide (PubChem CID 112751747) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide
PubChem CID112751747
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide
SMILESCc1ccc(Br)cc1-c1nc(C)c(C(N)=O)c(N)n1
InChIInChI=1S/C13H13BrN4O/c1-6-3-4-8(14)5-9(6)13-17-7(2)10(12(16)19)11(15)18-13/h3-5H,1-2H3,(H2,16,19)(H2,15,17,18)
InChIKeySIJFVDZIQSRAII-UHFFFAOYSA-N
XLogP2.20
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide (CID 112751747) is 4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide is Cc1ccc(Br)cc1-c1nc(C)c(C(N)=O)c(N)n1.
What is the InChIKey of 4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide?
The InChIKey is SIJFVDZIQSRAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-6-3-4-8(14)5-9(6)13-17-7(2)10(12(16)19)11(15)18-13/h3-5H,1-2H3,(H2,16,19)(H2,15,17,18).
What are the key properties of 4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide?
4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide has a molecular weight of 321.18 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 112751747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).