5-(2-pyrrolidin-3-ylethenyl)pyrimidine

C10H13N3 — CID 66633165

IUPAC5-(2-pyrrolidin-3-ylethenyl)pyrimidine
SMILESC(=CC1CCNC1)c1cncnc1
InChIInChI=1S/C10H13N3/c1(9-3-4-11-5-9)2-10-6-12-8-13-7-10/h1-2,6-9,11H,3-5H2
InChIKeyFNEHSHNEXMPCLJ-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.10
Rot. Bonds2

About 5-(2-pyrrolidin-3-ylethenyl)pyrimidine

5-(2-pyrrolidin-3-ylethenyl)pyrimidine (PubChem CID 66633165) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 5-(2-pyrrolidin-3-ylethenyl)pyrimidine.

Molecular Properties

Compound Name5-(2-pyrrolidin-3-ylethenyl)pyrimidine
PubChem CID66633165
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name5-(2-pyrrolidin-3-ylethenyl)pyrimidine
SMILESC(=CC1CCNC1)c1cncnc1
InChIInChI=1S/C10H13N3/c1(9-3-4-11-5-9)2-10-6-12-8-13-7-10/h1-2,6-9,11H,3-5H2
InChIKeyFNEHSHNEXMPCLJ-UHFFFAOYSA-N
XLogP1.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(E)-2-pyrrolidin-3-ylethenyl]pyrimidine;hydrochloride
CID 131986793
3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine
CID 54584446
3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine
CID 66660650
5-[(E)-2-[(3R)-1-methylpyrrolidin-3-yl]ethenyl]pyrimidine
CID 11715315
5-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]pyrimidine
CID 10103973
5-pyrrolidin-3-ylpyrimidine
CID 66996535
3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine
CID 10016526
4-[(E)-2-(1H-imidazol-5-yl)ethenyl]piperidine
CID 131238700
5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine
CID 173145418
2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine
CID 10421135
3-[(E)-prop-1-enyl]pyrrolidine
CID 87940337
2-hydroxybutanedioic acid;3-(oxan-4-yloxy)-5-[(E)-2-[(3R)-pyrrolidin-3-yl]ethenyl]pyridine
CID 46238621

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrolidin-3-ylethenyl)pyrimidine?
The IUPAC name of 5-(2-pyrrolidin-3-ylethenyl)pyrimidine (CID 66633165) is 5-(2-pyrrolidin-3-ylethenyl)pyrimidine.
What is the SMILES notation for 5-(2-pyrrolidin-3-ylethenyl)pyrimidine?
The canonical SMILES for 5-(2-pyrrolidin-3-ylethenyl)pyrimidine is C(=CC1CCNC1)c1cncnc1.
What is the InChIKey of 5-(2-pyrrolidin-3-ylethenyl)pyrimidine?
The InChIKey is FNEHSHNEXMPCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1(9-3-4-11-5-9)2-10-6-12-8-13-7-10/h1-2,6-9,11H,3-5H2.
What are the key properties of 5-(2-pyrrolidin-3-ylethenyl)pyrimidine?
5-(2-pyrrolidin-3-ylethenyl)pyrimidine has a molecular weight of 175.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrolidin-3-ylethenyl)pyrimidine is sourced from PubChem (CID 66633165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).