3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C12H18N4O3 — CID 107325218

IUPAC3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCCOc1ncnc(N2CCC(N)(C(=O)O)C2)c1C
InChIInChI=1S/C12H18N4O3/c1-3-19-10-8(2)9(14-7-15-10)16-5-4-12(13,6-16)11(17)18/h7H,3-6,13H2,1-2H3,(H,17,18)
InChIKeyIHJILJPHJMCPRL-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.18
Rot. Bonds4

About 3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107325218) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID107325218
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCCOc1ncnc(N2CCC(N)(C(=O)O)C2)c1C
InChIInChI=1S/C12H18N4O3/c1-3-19-10-8(2)9(14-7-15-10)16-5-4-12(13,6-16)11(17)18/h7H,3-6,13H2,1-2H3,(H,17,18)
InChIKeyIHJILJPHJMCPRL-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

1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 66325534
3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325390
1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982984
3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325451
1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369719
2-[4-(6-ethoxy-5-methylpyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 66434220
4-amino-1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 89442517
[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine
CID 66327389
4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine
CID 66326377
3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid
CID 107325364
4-[4-(chloromethyl)piperidin-1-yl]-6-ethoxy-5-methylpyrimidine
CID 66326378
3-amino-1-(3-ethoxy-5-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 107325385

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 107325218) is 3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid is CCOc1ncnc(N2CCC(N)(C(=O)O)C2)c1C.
What is the InChIKey of 3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is IHJILJPHJMCPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-19-10-8(2)9(14-7-15-10)16-5-4-12(13,6-16)11(17)18/h7H,3-6,13H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(6-ethoxy-5-methylpyrimidin-4-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-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).