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

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Related Compounds

2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine
CID 133377119
1-phenyl-2-(2-phenylethyl)pyrrolidine
CID 10922989
4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine
CID 73439643
3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006197
3-[[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006196
4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine
CID 125016132
4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine
CID 124996158
N-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide
CID 124641691
4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 124943452
3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine
CID 63758931
[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 124962989
2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine
CID 59865110

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).