2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide

C15H17BrN4O3 — CID 54850545

IUPAC2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide
SMILESCOCCOc1ccc(-c2nc(N)nc(C)c2C(N)=O)cc1Br
InChIInChI=1S/C15H17BrN4O3/c1-8-12(14(17)21)13(20-15(18)19-8)9-3-4-11(10(16)7-9)23-6-5-22-2/h3-4,7H,5-6H2,1-2H3,(H2,17,21)(H2,18,19,20)
InChIKeySPYZRAQHBPKUFM-UHFFFAOYSA-N
MW381.23 g/mol
LogP1.92
Rot. Bonds6

About 2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide

2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide (PubChem CID 54850545) has the molecular formula C15H17BrN4O3 and a molecular weight of 381.23 g/mol. Its IUPAC name is 2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide
PubChem CID54850545
Molecular FormulaC15H17BrN4O3
Molecular Weight381.23 g/mol
Exact Mass380.05
IUPAC Name2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide
SMILESCOCCOc1ccc(-c2nc(N)nc(C)c2C(N)=O)cc1Br
InChIInChI=1S/C15H17BrN4O3/c1-8-12(14(17)21)13(20-15(18)19-8)9-3-4-11(10(16)7-9)23-6-5-22-2/h3-4,7H,5-6H2,1-2H3,(H2,17,21)(H2,18,19,20)
InChIKeySPYZRAQHBPKUFM-UHFFFAOYSA-N
XLogP1.92
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide
CID 54850454
2-amino-4-(3-bromo-4-propoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 54851688
2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850497
ethyl 2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylate
CID 54851650
2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54851170
ethyl 3-bromo-4-(2-methoxyethoxy)benzoate
CID 11839084
2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide
CID 54850496
2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850715
2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide
CID 54851744
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-methylphenyl)methanol
CID 104661341
3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 82800243
4-[(E)-2-[3-bromo-4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-thiazol-2-amine
CID 104658438

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide (CID 54850545) is 2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide is COCCOc1ccc(-c2nc(N)nc(C)c2C(N)=O)cc1Br.
What is the InChIKey of 2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide?
The InChIKey is SPYZRAQHBPKUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O3/c1-8-12(14(17)21)13(20-15(18)19-8)9-3-4-11(10(16)7-9)23-6-5-22-2/h3-4,7H,5-6H2,1-2H3,(H2,17,21)(H2,18,19,20).
What are the key properties of 2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide?
2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide has a molecular weight of 381.23 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 54850545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).