methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate

C8H11N3O2 — CID 18175252

IUPACmethyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C)nc(C)c1N
InChIInChI=1S/C8H11N3O2/c1-4-6(9)7(8(12)13-3)11-5(2)10-4/h9H2,1-3H3
InChIKeyFNXSFPICRGARMF-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.46
Rot. Bonds1

About methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate

methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate (PubChem CID 18175252) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate
PubChem CID18175252
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Namemethyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C)nc(C)c1N
InChIInChI=1S/C8H11N3O2/c1-4-6(9)7(8(12)13-3)11-5(2)10-4/h9H2,1-3H3
InChIKeyFNXSFPICRGARMF-UHFFFAOYSA-N
XLogP0.46
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 4-amino-5-fluoro-6-methyl-3-methylsulfanylpyridine-2-carboxylate
CID 144501762
methyl 5-amino-2-methylpyrimidine-4-carboxylate
CID 84717183
methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate
CID 129415851
methyl 3-amino-5,6-dibromopyrazine-2-carboxylate
CID 141482707
methyl 3-amino-4,5,6-trichloropyridine-2-carboxylate
CID 86668297
methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate
CID 12625134
2,6-dimethylpyrimidine-4,5-diamine
CID 19898795
methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
CID 115022124
ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate
CID 145450244
ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate
CID 170576528
methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 112725166

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate?
The IUPAC name of methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate (CID 18175252) is methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate is COC(=O)c1nc(C)nc(C)c1N.
What is the InChIKey of methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate?
The InChIKey is FNXSFPICRGARMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-6(9)7(8(12)13-3)11-5(2)10-4/h9H2,1-3H3.
What are the key properties of methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate?
methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate is sourced from PubChem (CID 18175252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).