methyl 6-amino-2-(4-bromophenyl)-5-hydroxypyrimidine-4-carboxylate

C12H10BrN3O3 — CID 137484732

IUPACmethyl 6-amino-2-(4-bromophenyl)-5-hydroxypyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Br)cc2)nc(N)c1O
InChIInChI=1S/C12H10BrN3O3/c1-19-12(18)8-9(17)10(14)16-11(15-8)6-2-4-7(13)5-3-6/h2-5,17H,1H3,(H2,14,15,16)
InChIKeyFFMXFUCMKLPZFG-UHFFFAOYSA-N
MW324.13 g/mol
LogP1.98
Rot. Bonds2

About methyl 6-amino-2-(4-bromophenyl)-5-hydroxypyrimidine-4-carboxylate

methyl 6-amino-2-(4-bromophenyl)-5-hydroxypyrimidine-4-carboxylate (PubChem CID 137484732) has the molecular formula C12H10BrN3O3 and a molecular weight of 324.13 g/mol. Its IUPAC name is methyl 6-amino-2-(4-bromophenyl)-5-hydroxypyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2-(4-bromophenyl)-5-hydroxypyrimidine-4-carboxylate
PubChem CID137484732
Molecular FormulaC12H10BrN3O3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC Namemethyl 6-amino-2-(4-bromophenyl)-5-hydroxypyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Br)cc2)nc(N)c1O
InChIInChI=1S/C12H10BrN3O3/c1-19-12(18)8-9(17)10(14)16-11(15-8)6-2-4-7(13)5-3-6/h2-5,17H,1H3,(H2,14,15,16)
InChIKeyFFMXFUCMKLPZFG-UHFFFAOYSA-N
XLogP1.98
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-(4-bromophenyl)-5-hydroxypyrimidine-4-carboxylate?
The IUPAC name of methyl 6-amino-2-(4-bromophenyl)-5-hydroxypyrimidine-4-carboxylate (CID 137484732) is methyl 6-amino-2-(4-bromophenyl)-5-hydroxypyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-2-(4-bromophenyl)-5-hydroxypyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-amino-2-(4-bromophenyl)-5-hydroxypyrimidine-4-carboxylate is COC(=O)c1nc(-c2ccc(Br)cc2)nc(N)c1O.
What is the InChIKey of methyl 6-amino-2-(4-bromophenyl)-5-hydroxypyrimidine-4-carboxylate?
The InChIKey is FFMXFUCMKLPZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O3/c1-19-12(18)8-9(17)10(14)16-11(15-8)6-2-4-7(13)5-3-6/h2-5,17H,1H3,(H2,14,15,16).
What are the key properties of methyl 6-amino-2-(4-bromophenyl)-5-hydroxypyrimidine-4-carboxylate?
methyl 6-amino-2-(4-bromophenyl)-5-hydroxypyrimidine-4-carboxylate has a molecular weight of 324.13 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-(4-bromophenyl)-5-hydroxypyrimidine-4-carboxylate is sourced from PubChem (CID 137484732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).