3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid

C12H18N4O3 — CID 107325390

IUPAC3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCCOc1cc(C)nc(N2CCC(N)(C(=O)O)C2)n1
InChIInChI=1S/C12H18N4O3/c1-3-19-9-6-8(2)14-11(15-9)16-5-4-12(13,7-16)10(17)18/h6H,3-5,7,13H2,1-2H3,(H,17,18)
InChIKeySFTJLQOADCONPW-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.18
Rot. Bonds4

About 3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107325390) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID107325390
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCCOc1cc(C)nc(N2CCC(N)(C(=O)O)C2)n1
InChIInChI=1S/C12H18N4O3/c1-3-19-9-6-8(2)14-11(15-9)16-5-4-12(13,7-16)10(17)18/h6H,3-5,7,13H2,1-2H3,(H,17,18)
InChIKeySFTJLQOADCONPW-UHFFFAOYSA-N
XLogP0.18
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325451
3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 107325218
3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115973046
3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325393
ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate
CID 4089312
4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 115973034
3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325349
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228712
1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63146887
3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 115973040
3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid
CID 107325400
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 112634894

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid (CID 107325390) is 3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid is CCOc1cc(C)nc(N2CCC(N)(C(=O)O)C2)n1.
What is the InChIKey of 3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is SFTJLQOADCONPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-19-9-6-8(2)14-11(15-9)16-5-4-12(13,7-16)10(17)18/h6H,3-5,7,13H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).