2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide

C15H17BrN4O2 — CID 54853690

IUPAC2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
SMILESCCOc1ccc(Br)cc1-c1nc(N)nc(C)c1C(=O)NC
InChIInChI=1S/C15H17BrN4O2/c1-4-22-11-6-5-9(16)7-10(11)13-12(14(21)18-3)8(2)19-15(17)20-13/h5-7H,4H2,1-3H3,(H,18,21)(H2,17,19,20)
InChIKeyDLBOOLCFDFBZNU-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.56
Rot. Bonds4

About 2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide

2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide (PubChem CID 54853690) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
PubChem CID54853690
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
SMILESCCOc1ccc(Br)cc1-c1nc(N)nc(C)c1C(=O)NC
InChIInChI=1S/C15H17BrN4O2/c1-4-22-11-6-5-9(16)7-10(11)13-12(14(21)18-3)8(2)19-15(17)20-13/h5-7H,4H2,1-3H3,(H,18,21)(H2,17,19,20)
InChIKeyDLBOOLCFDFBZNU-UHFFFAOYSA-N
XLogP2.56
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850453
2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852183
2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853653
4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine
CID 86004337
2-amino-4-(2-ethoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853820
2-amino-N,4-dimethyl-6-(4-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853581
2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide
CID 54854058
2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
CID 54853982
5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine
CID 24946892
dimethyl 4-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232775
2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850715
2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853960

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide (CID 54853690) is 2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide is CCOc1ccc(Br)cc1-c1nc(N)nc(C)c1C(=O)NC.
What is the InChIKey of 2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide?
The InChIKey is DLBOOLCFDFBZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c1-4-22-11-6-5-9(16)7-10(11)13-12(14(21)18-3)8(2)19-15(17)20-13/h5-7H,4H2,1-3H3,(H,18,21)(H2,17,19,20).
What are the key properties of 2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide?
2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 54853690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).