2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine

C15H18N4 — CID 110095085

IUPAC2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine
SMILESc1cnc(N2CCCC2CCc2ccncc2)nc1
InChIInChI=1S/C15H18N4/c1-3-14(5-4-13-6-10-16-11-7-13)19(12-1)15-17-8-2-9-18-15/h2,6-11,14H,1,3-5,12H2
InChIKeyYBIJXMNFTORRHH-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.47
Rot. Bonds4

About 2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine

2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 110095085) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID110095085
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine
SMILESc1cnc(N2CCCC2CCc2ccncc2)nc1
InChIInChI=1S/C15H18N4/c1-3-14(5-4-13-6-10-16-11-7-13)19(12-1)15-17-8-2-9-18-15/h2,6-11,14H,1,3-5,12H2
InChIKeyYBIJXMNFTORRHH-UHFFFAOYSA-N
XLogP2.47
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine (CID 110095085) is 2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine is c1cnc(N2CCCC2CCc2ccncc2)nc1.
What is the InChIKey of 2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is YBIJXMNFTORRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-3-14(5-4-13-6-10-16-11-7-13)19(12-1)15-17-8-2-9-18-15/h2,6-11,14H,1,3-5,12H2.
What are the key properties of 2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine?
2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 254.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 110095085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).