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

C15H17BrN4O2 — CID 54850453

IUPAC2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide
SMILESCCCOc1ccc(Br)cc1-c1nc(N)nc(C)c1C(N)=O
InChIInChI=1S/C15H17BrN4O2/c1-3-6-22-11-5-4-9(16)7-10(11)13-12(14(17)21)8(2)19-15(18)20-13/h4-5,7H,3,6H2,1-2H3,(H2,17,21)(H2,18,19,20)
InChIKeyOOOSNCQTLOXSIJ-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.68
Rot. Bonds5

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

2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide (PubChem CID 54850453) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide
PubChem CID54850453
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide
SMILESCCCOc1ccc(Br)cc1-c1nc(N)nc(C)c1C(N)=O
InChIInChI=1S/C15H17BrN4O2/c1-3-6-22-11-5-4-9(16)7-10(11)13-12(14(17)21)8(2)19-15(18)20-13/h4-5,7H,3,6H2,1-2H3,(H2,17,21)(H2,18,19,20)
InChIKeyOOOSNCQTLOXSIJ-UHFFFAOYSA-N
XLogP2.68
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
CID 54853690
2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852183
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
2-amino-4-(3-bromo-4-propoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 54851688
2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide
CID 54850545
2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850715
2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405782
2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850497
2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide
CID 54850454
2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168930
2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54851875

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide (CID 54850453) is 2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide is CCCOc1ccc(Br)cc1-c1nc(N)nc(C)c1C(N)=O.
What is the InChIKey of 2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide?
The InChIKey is OOOSNCQTLOXSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c1-3-6-22-11-5-4-9(16)7-10(11)13-12(14(17)21)8(2)19-15(18)20-13/h4-5,7H,3,6H2,1-2H3,(H2,17,21)(H2,18,19,20).
What are the key properties of 2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide?
2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 2.68, 5 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-propoxyphenyl)-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 54850453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).