2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid

C11H15N3O3 — CID 107554889

IUPAC2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(OCCN2CCCC2)n1
InChIInChI=1S/C11H15N3O3/c15-10(16)9-3-4-12-11(13-9)17-8-7-14-5-1-2-6-14/h3-4H,1-2,5-8H2,(H,15,16)
InChIKeyNQOQIEAZOONKSK-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.65
Rot. Bonds5

About 2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid

2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid (PubChem CID 107554889) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid
PubChem CID107554889
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(OCCN2CCCC2)n1
InChIInChI=1S/C11H15N3O3/c15-10(16)9-3-4-12-11(13-9)17-8-7-14-5-1-2-6-14/h3-4H,1-2,5-8H2,(H,15,16)
InChIKeyNQOQIEAZOONKSK-UHFFFAOYSA-N
XLogP0.65
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methanamine
CID 107542637
2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid
CID 107554961
2-but-3-enoxypyrimidine-4-carboxylic acid
CID 107554637
5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 79793888
2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid
CID 107555001
2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid
CID 107555073
5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 18754120
2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid
CID 107554648
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrrole-2-carboxylic acid
CID 167844599

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid (CID 107554889) is 2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(OCCN2CCCC2)n1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid?
The InChIKey is NQOQIEAZOONKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-10(16)9-3-4-12-11(13-9)17-8-7-14-5-1-2-6-14/h3-4H,1-2,5-8H2,(H,15,16).
What are the key properties of 2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid?
2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).