methyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate

C8H10BrN3O2 — CID 66304871

IUPACmethyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate
SMILESCNc1nc(C(=O)OC)nc(C)c1Br
InChIInChI=1S/C8H10BrN3O2/c1-4-5(9)6(10-2)12-7(11-4)8(13)14-3/h1-3H3,(H,10,11,12)
InChIKeyUAZMGENNNMJIOS-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.38
Rot. Bonds2

About methyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate

methyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate (PubChem CID 66304871) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is methyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate
PubChem CID66304871
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Namemethyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate
SMILESCNc1nc(C(=O)OC)nc(C)c1Br
InChIInChI=1S/C8H10BrN3O2/c1-4-5(9)6(10-2)12-7(11-4)8(13)14-3/h1-3H3,(H,10,11,12)
InChIKeyUAZMGENNNMJIOS-UHFFFAOYSA-N
XLogP1.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate (CID 66304871) is methyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate is CNc1nc(C(=O)OC)nc(C)c1Br.
What is the InChIKey of methyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate?
The InChIKey is UAZMGENNNMJIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c1-4-5(9)6(10-2)12-7(11-4)8(13)14-3/h1-3H3,(H,10,11,12).
What are the key properties of methyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate?
methyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate has a molecular weight of 260.09 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66304871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).