2-(3-pyrrolidin-1-ylphenyl)pyrimidine

C14H15N3 — CID 168513243

IUPAC2-(3-pyrrolidin-1-ylphenyl)pyrimidine
SMILESc1cnc(-c2cccc(N3CCCC3)c2)nc1
InChIInChI=1S/C14H15N3/c1-2-10-17(9-1)13-6-3-5-12(11-13)14-15-7-4-8-16-14/h3-8,11H,1-2,9-10H2
InChIKeyFTBVFIFWNCWGNJ-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.74
Rot. Bonds2

About 2-(3-pyrrolidin-1-ylphenyl)pyrimidine

2-(3-pyrrolidin-1-ylphenyl)pyrimidine (PubChem CID 168513243) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylphenyl)pyrimidine
PubChem CID168513243
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name2-(3-pyrrolidin-1-ylphenyl)pyrimidine
SMILESc1cnc(-c2cccc(N3CCCC3)c2)nc1
InChIInChI=1S/C14H15N3/c1-2-10-17(9-1)13-6-3-5-12(11-13)14-15-7-4-8-16-14/h3-8,11H,1-2,9-10H2
InChIKeyFTBVFIFWNCWGNJ-UHFFFAOYSA-N
XLogP2.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylphenyl)pyrimidine?
The IUPAC name of 2-(3-pyrrolidin-1-ylphenyl)pyrimidine (CID 168513243) is 2-(3-pyrrolidin-1-ylphenyl)pyrimidine.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylphenyl)pyrimidine?
The canonical SMILES for 2-(3-pyrrolidin-1-ylphenyl)pyrimidine is c1cnc(-c2cccc(N3CCCC3)c2)nc1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylphenyl)pyrimidine?
The InChIKey is FTBVFIFWNCWGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-10-17(9-1)13-6-3-5-12(11-13)14-15-7-4-8-16-14/h3-8,11H,1-2,9-10H2.
What are the key properties of 2-(3-pyrrolidin-1-ylphenyl)pyrimidine?
2-(3-pyrrolidin-1-ylphenyl)pyrimidine has a molecular weight of 225.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylphenyl)pyrimidine is sourced from PubChem (CID 168513243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).