2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid

C15H14FN3O2 — CID 42669991

IUPAC2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(F)cc2)nc1N1CCCC1
InChIInChI=1S/C15H14FN3O2/c16-11-5-3-10(4-6-11)13-17-9-12(15(20)21)14(18-13)19-7-1-2-8-19/h3-6,9H,1-2,7-8H2,(H,20,21)
InChIKeyIIHRYNLNFIRWKZ-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.58
Rot. Bonds3

About 2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid

2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid (PubChem CID 42669991) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
PubChem CID42669991
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(F)cc2)nc1N1CCCC1
InChIInChI=1S/C15H14FN3O2/c16-11-5-3-10(4-6-11)13-17-9-12(15(20)21)14(18-13)19-7-1-2-8-19/h3-6,9H,1-2,7-8H2,(H,20,21)
InChIKeyIIHRYNLNFIRWKZ-UHFFFAOYSA-N
XLogP2.58
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 53214965
2-(4-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669970
2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669942
2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 82169279
[2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 42822398
2-(4-ethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214932
2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 53214897
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 42673825
2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214933
2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669959
2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 42673835
4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 82169283

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid (CID 42669991) is 2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccc(F)cc2)nc1N1CCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
The InChIKey is IIHRYNLNFIRWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-11-5-3-10(4-6-11)13-17-9-12(15(20)21)14(18-13)19-7-1-2-8-19/h3-6,9H,1-2,7-8H2,(H,20,21).
What are the key properties of 2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid has a molecular weight of 287.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 42669991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).