4-(2-ethylpyrrolidin-3-yl)pyrimidine

C10H15N3 — CID 63987876

IUPAC4-(2-ethylpyrrolidin-3-yl)pyrimidine
SMILESCCC1NCCC1c1ccncn1
InChIInChI=1S/C10H15N3/c1-2-9-8(3-6-12-9)10-4-5-11-7-13-10/h4-5,7-9,12H,2-3,6H2,1H3
InChIKeyGFNCIHCLZQLDBB-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.33
Rot. Bonds2

About 4-(2-ethylpyrrolidin-3-yl)pyrimidine

4-(2-ethylpyrrolidin-3-yl)pyrimidine (PubChem CID 63987876) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-(2-ethylpyrrolidin-3-yl)pyrimidine.

Molecular Properties

Compound Name4-(2-ethylpyrrolidin-3-yl)pyrimidine
PubChem CID63987876
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name4-(2-ethylpyrrolidin-3-yl)pyrimidine
SMILESCCC1NCCC1c1ccncn1
InChIInChI=1S/C10H15N3/c1-2-9-8(3-6-12-9)10-4-5-11-7-13-10/h4-5,7-9,12H,2-3,6H2,1H3
InChIKeyGFNCIHCLZQLDBB-UHFFFAOYSA-N
XLogP1.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrrolidin-3-yl)pyrimidine?
The IUPAC name of 4-(2-ethylpyrrolidin-3-yl)pyrimidine (CID 63987876) is 4-(2-ethylpyrrolidin-3-yl)pyrimidine.
What is the SMILES notation for 4-(2-ethylpyrrolidin-3-yl)pyrimidine?
The canonical SMILES for 4-(2-ethylpyrrolidin-3-yl)pyrimidine is CCC1NCCC1c1ccncn1.
What is the InChIKey of 4-(2-ethylpyrrolidin-3-yl)pyrimidine?
The InChIKey is GFNCIHCLZQLDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-9-8(3-6-12-9)10-4-5-11-7-13-10/h4-5,7-9,12H,2-3,6H2,1H3.
What are the key properties of 4-(2-ethylpyrrolidin-3-yl)pyrimidine?
4-(2-ethylpyrrolidin-3-yl)pyrimidine has a molecular weight of 177.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrrolidin-3-yl)pyrimidine is sourced from PubChem (CID 63987876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).