2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide

C14H15BrN4O2 — CID 54850715

IUPAC2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
SMILESCc1cc(Br)ccc1OCc1nc(N)nc(C)c1C(N)=O
InChIInChI=1S/C14H15BrN4O2/c1-7-5-9(15)3-4-11(7)21-6-10-12(13(16)20)8(2)18-14(17)19-10/h3-5H,6H2,1-2H3,(H2,16,20)(H2,17,18,19)
InChIKeyRYCNOWUJJHEIQM-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.12
Rot. Bonds4

About 2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide

2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide (PubChem CID 54850715) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
PubChem CID54850715
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
SMILESCc1cc(Br)ccc1OCc1nc(N)nc(C)c1C(N)=O
InChIInChI=1S/C14H15BrN4O2/c1-7-5-9(15)3-4-11(7)21-6-10-12(13(16)20)8(2)18-14(17)19-10/h3-5H,6H2,1-2H3,(H2,16,20)(H2,17,18,19)
InChIKeyRYCNOWUJJHEIQM-UHFFFAOYSA-N
XLogP2.12
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54851170
ethyl 2-amino-4-[(2,4-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851778
2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54851072
2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850622
2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853917
2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxamide
CID 54850982
2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850453
2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850457
2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851529
2-(4-bromo-2-methylphenoxy)acetamide
CID 803456
2-amino-4-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851833
2-amino-4-[(2,4-ditert-butylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54850590

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide (CID 54850715) is 2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide is Cc1cc(Br)ccc1OCc1nc(N)nc(C)c1C(N)=O.
What is the InChIKey of 2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide?
The InChIKey is RYCNOWUJJHEIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-7-5-9(15)3-4-11(7)21-6-10-12(13(16)20)8(2)18-14(17)19-10/h3-5H,6H2,1-2H3,(H2,16,20)(H2,17,18,19).
What are the key properties of 2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide?
2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 54850715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).