methyl 4-aminopyrimidine-2-carboxylate

C6H7N3O2 — CID 13060221

IUPACmethyl 4-aminopyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(N)n1
InChIInChI=1S/C6H7N3O2/c1-11-6(10)5-8-3-2-4(7)9-5/h2-3H,1H3,(H2,7,8,9)
InChIKeyPYQRUDYLXHRTQU-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.15
Rot. Bonds1

About methyl 4-aminopyrimidine-2-carboxylate

methyl 4-aminopyrimidine-2-carboxylate (PubChem CID 13060221) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is methyl 4-aminopyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-aminopyrimidine-2-carboxylate
PubChem CID13060221
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Namemethyl 4-aminopyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(N)n1
InChIInChI=1S/C6H7N3O2/c1-11-6(10)5-8-3-2-4(7)9-5/h2-3H,1H3,(H2,7,8,9)
InChIKeyPYQRUDYLXHRTQU-UHFFFAOYSA-N
XLogP-0.15
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-aminopyrimidine-2-carboxylate?
The IUPAC name of methyl 4-aminopyrimidine-2-carboxylate (CID 13060221) is methyl 4-aminopyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-aminopyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-aminopyrimidine-2-carboxylate is COC(=O)c1nccc(N)n1.
What is the InChIKey of methyl 4-aminopyrimidine-2-carboxylate?
The InChIKey is PYQRUDYLXHRTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-11-6(10)5-8-3-2-4(7)9-5/h2-3H,1H3,(H2,7,8,9).
What are the key properties of methyl 4-aminopyrimidine-2-carboxylate?
methyl 4-aminopyrimidine-2-carboxylate has a molecular weight of 153.14 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 4-aminopyrimidine-2-carboxylate is sourced from PubChem (CID 13060221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).