1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid

C14H21N3O3 — CID 66333551

IUPAC1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ncnc(OC)c2C)C1
InChIInChI=1S/C14H21N3O3/c1-4-5-14(13(18)19)6-7-17(8-14)11-10(2)12(20-3)16-9-15-11/h9H,4-8H2,1-3H3,(H,18,19)
InChIKeyZZUNINOCJHLIKH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.87
Rot. Bonds5

About 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid

1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 66333551) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID66333551
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ncnc(OC)c2C)C1
InChIInChI=1S/C14H21N3O3/c1-4-5-14(13(18)19)6-7-17(8-14)11-10(2)12(20-3)16-9-15-11/h9H,4-8H2,1-3H3,(H,18,19)
InChIKeyZZUNINOCJHLIKH-UHFFFAOYSA-N
XLogP1.87
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid (CID 66333551) is 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(c2ncnc(OC)c2C)C1.
What is the InChIKey of 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is ZZUNINOCJHLIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-5-14(13(18)19)6-7-17(8-14)11-10(2)12(20-3)16-9-15-11/h9H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid?
1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66333551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).