methyl 5-amino-2-methylpyrimidine-4-carboxylate

C7H9N3O2 — CID 84717183

IUPACmethyl 5-amino-2-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C)ncc1N
InChIInChI=1S/C7H9N3O2/c1-4-9-3-5(8)6(10-4)7(11)12-2/h3H,8H2,1-2H3
InChIKeyDMXZJFGOUIJUBU-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.15
Rot. Bonds1

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

methyl 5-amino-2-methylpyrimidine-4-carboxylate (PubChem CID 84717183) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is methyl 5-amino-2-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-methylpyrimidine-4-carboxylate
PubChem CID84717183
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Namemethyl 5-amino-2-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C)ncc1N
InChIInChI=1S/C7H9N3O2/c1-4-9-3-5(8)6(10-4)7(11)12-2/h3H,8H2,1-2H3
InChIKeyDMXZJFGOUIJUBU-UHFFFAOYSA-N
XLogP0.15
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate
CID 145450244
methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate
CID 18175252
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate
CID 170576528
methyl 3-amino-6-methoxypyridine-2-carboxylate;hydrochloride
CID 71544878
methyl 3-amino-6-[2-(5-amino-6-methoxycarbonyl-3-pyridinyl)ethynyl]pyridine-2-carboxylate
CID 176914400
methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate
CID 84728484
methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate
CID 53417431
methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 28935045
methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671357
methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate
CID 155682412
methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate
CID 70098483

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-methylpyrimidine-4-carboxylate (CID 84717183) is methyl 5-amino-2-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-methylpyrimidine-4-carboxylate is COC(=O)c1nc(C)ncc1N.
What is the InChIKey of methyl 5-amino-2-methylpyrimidine-4-carboxylate?
The InChIKey is DMXZJFGOUIJUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-4-9-3-5(8)6(10-4)7(11)12-2/h3H,8H2,1-2H3.
What are the key properties of methyl 5-amino-2-methylpyrimidine-4-carboxylate?
methyl 5-amino-2-methylpyrimidine-4-carboxylate has a molecular weight of 167.17 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 84717183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).