1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C15H15N3O2 — CID 102549329

IUPAC1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C15H15N3O2/c19-15(20)12-6-7-18(9-12)14-8-13(16-10-17-14)11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H,19,20)
InChIKeyQWHIQRMKJDTAIU-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.05
Rot. Bonds3

About 1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid

1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 102549329) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID102549329
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C15H15N3O2/c19-15(20)12-6-7-18(9-12)14-8-13(16-10-17-14)11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H,19,20)
InChIKeyQWHIQRMKJDTAIU-UHFFFAOYSA-N
XLogP2.05
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone
CID 121018196
N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516549
N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90519003
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168055
N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519264
1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 53062035
N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062028
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 90519014
N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53061994

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 102549329) is 1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2cc(-c3ccccc3)ncn2)C1.
What is the InChIKey of 1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is QWHIQRMKJDTAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(20)12-6-7-18(9-12)14-8-13(16-10-17-14)11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H,19,20).
What are the key properties of 1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102549329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).