methyl 2-amino-6-methoxypyrimidine-4-carboxylate

C7H9N3O3 — CID 22271472

IUPACmethyl 2-amino-6-methoxypyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nc(N)n1
InChIInChI=1S/C7H9N3O3/c1-12-5-3-4(6(11)13-2)9-7(8)10-5/h3H,1-2H3,(H2,8,9,10)
InChIKeyWSZAYLCQMYIFGC-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.15
Rot. Bonds2

About methyl 2-amino-6-methoxypyrimidine-4-carboxylate

methyl 2-amino-6-methoxypyrimidine-4-carboxylate (PubChem CID 22271472) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is methyl 2-amino-6-methoxypyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-methoxypyrimidine-4-carboxylate
PubChem CID22271472
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Namemethyl 2-amino-6-methoxypyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nc(N)n1
InChIInChI=1S/C7H9N3O3/c1-12-5-3-4(6(11)13-2)9-7(8)10-5/h3H,1-2H3,(H2,8,9,10)
InChIKeyWSZAYLCQMYIFGC-UHFFFAOYSA-N
XLogP-0.15
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-methoxypyrimidine-4-carboxylate?
The IUPAC name of methyl 2-amino-6-methoxypyrimidine-4-carboxylate (CID 22271472) is methyl 2-amino-6-methoxypyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-6-methoxypyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-amino-6-methoxypyrimidine-4-carboxylate is COC(=O)c1cc(OC)nc(N)n1.
What is the InChIKey of methyl 2-amino-6-methoxypyrimidine-4-carboxylate?
The InChIKey is WSZAYLCQMYIFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-12-5-3-4(6(11)13-2)9-7(8)10-5/h3H,1-2H3,(H2,8,9,10).
What are the key properties of methyl 2-amino-6-methoxypyrimidine-4-carboxylate?
methyl 2-amino-6-methoxypyrimidine-4-carboxylate has a molecular weight of 183.17 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-methoxypyrimidine-4-carboxylate is sourced from PubChem (CID 22271472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).