2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid

C13H19N3O3 — CID 66333388

IUPAC2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
SMILESCCCOc1cc(N2CCCC2CC(=O)O)ncn1
InChIInChI=1S/C13H19N3O3/c1-2-6-19-12-8-11(14-9-15-12)16-5-3-4-10(16)7-13(17)18/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyBNKXZLUIEOWGFT-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.71
Rot. Bonds6

About 2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid

2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid (PubChem CID 66333388) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
PubChem CID66333388
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
SMILESCCCOc1cc(N2CCCC2CC(=O)O)ncn1
InChIInChI=1S/C13H19N3O3/c1-2-6-19-12-8-11(14-9-15-12)16-5-3-4-10(16)7-13(17)18/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyBNKXZLUIEOWGFT-UHFFFAOYSA-N
XLogP1.71
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 66331786
2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 66331557
2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 61240133
N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine
CID 66331992
4-[2-(2-chloroethyl)piperidin-1-yl]-6-propoxypyrimidine
CID 66333215
N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 66331777
methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate
CID 66318081
2-[4-(6-ethoxypyrimidin-4-yl)thiomorpholin-3-yl]acetic acid
CID 66445483
2-(6-propoxypyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892289
2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
CID 115354718
N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine
CID 66318799
3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine
CID 66332370

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid (CID 66333388) is 2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid is CCCOc1cc(N2CCCC2CC(=O)O)ncn1.
What is the InChIKey of 2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid?
The InChIKey is BNKXZLUIEOWGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-6-19-12-8-11(14-9-15-12)16-5-3-4-10(16)7-13(17)18/h8-10H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid?
2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 66333388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).