methyl 2-amino-4-bromopyrimidine-5-carboxylate

C6H6BrN3O2 — CID 131422856

IUPACmethyl 2-amino-4-bromopyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(N)nc1Br
InChIInChI=1S/C6H6BrN3O2/c1-12-5(11)3-2-9-6(8)10-4(3)7/h2H,1H3,(H2,8,9,10)
InChIKeyJLRAWGVCEKDNAM-UHFFFAOYSA-N
MW232.04 g/mol
LogP0.61
Rot. Bonds1

About methyl 2-amino-4-bromopyrimidine-5-carboxylate

methyl 2-amino-4-bromopyrimidine-5-carboxylate (PubChem CID 131422856) has the molecular formula C6H6BrN3O2 and a molecular weight of 232.04 g/mol. Its IUPAC name is methyl 2-amino-4-bromopyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-bromopyrimidine-5-carboxylate
PubChem CID131422856
Molecular FormulaC6H6BrN3O2
Molecular Weight232.04 g/mol
Exact Mass230.96
IUPAC Namemethyl 2-amino-4-bromopyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(N)nc1Br
InChIInChI=1S/C6H6BrN3O2/c1-12-5(11)3-2-9-6(8)10-4(3)7/h2H,1H3,(H2,8,9,10)
InChIKeyJLRAWGVCEKDNAM-UHFFFAOYSA-N
XLogP0.61
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-amino-4-bromopyrimidine-5-carboxylate 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

methyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate
CID 14639204
methyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 15398885
methyl 2-amino-4-(5-bromo-2-methylphenyl)pyrimidine-5-carboxylate
CID 59113908
methyl 2-amino-4-(1-phenylcyclopentyl)pyrimidine-5-carboxylate
CID 143562143
methyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate
CID 164554913
methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646751
methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate
CID 102614908
methyl 5-(aminomethyl)-6-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675414
methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate
CID 102614854
methyl 6-bromo-4-iodopyridine-3-carboxylate
CID 86674963
methyl 3-(2-aminopyrimidin-5-yl)-2-chlorobenzoate
CID 150628065
methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate
CID 102941566

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-bromopyrimidine-5-carboxylate?
The IUPAC name of methyl 2-amino-4-bromopyrimidine-5-carboxylate (CID 131422856) is methyl 2-amino-4-bromopyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-bromopyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-bromopyrimidine-5-carboxylate is COC(=O)c1cnc(N)nc1Br.
What is the InChIKey of methyl 2-amino-4-bromopyrimidine-5-carboxylate?
The InChIKey is JLRAWGVCEKDNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O2/c1-12-5(11)3-2-9-6(8)10-4(3)7/h2H,1H3,(H2,8,9,10).
What are the key properties of methyl 2-amino-4-bromopyrimidine-5-carboxylate?
methyl 2-amino-4-bromopyrimidine-5-carboxylate has a molecular weight of 232.04 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-bromopyrimidine-5-carboxylate is sourced from PubChem (CID 131422856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).