5-(4-ethenylpiperidin-1-yl)-2,3-dimethyl-4H-pyrimidine

C13H21N3 — CID 143519239

IUPAC5-(4-ethenylpiperidin-1-yl)-2,3-dimethyl-4H-pyrimidine
SMILESC=CC1CCN(C2=CN=C(C)N(C)C2)CC1
InChIInChI=1S/C13H21N3/c1-4-12-5-7-16(8-6-12)13-9-14-11(2)15(3)10-13/h4,9,12H,1,5-8,10H2,2-3H3
InChIKeyVIXDWLRYHUIBEP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.09
Rot. Bonds2

About 5-(4-ethenylpiperidin-1-yl)-2,3-dimethyl-4H-pyrimidine

5-(4-ethenylpiperidin-1-yl)-2,3-dimethyl-4H-pyrimidine (PubChem CID 143519239) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-(4-ethenylpiperidin-1-yl)-2,3-dimethyl-4H-pyrimidine.

Molecular Properties

Compound Name5-(4-ethenylpiperidin-1-yl)-2,3-dimethyl-4H-pyrimidine
PubChem CID143519239
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-(4-ethenylpiperidin-1-yl)-2,3-dimethyl-4H-pyrimidine
SMILESC=CC1CCN(C2=CN=C(C)N(C)C2)CC1
InChIInChI=1S/C13H21N3/c1-4-12-5-7-16(8-6-12)13-9-14-11(2)15(3)10-13/h4,9,12H,1,5-8,10H2,2-3H3
InChIKeyVIXDWLRYHUIBEP-UHFFFAOYSA-N
XLogP2.09
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenylpiperidin-1-yl)-2,3-dimethyl-4H-pyrimidine?
The IUPAC name of 5-(4-ethenylpiperidin-1-yl)-2,3-dimethyl-4H-pyrimidine (CID 143519239) is 5-(4-ethenylpiperidin-1-yl)-2,3-dimethyl-4H-pyrimidine.
What is the SMILES notation for 5-(4-ethenylpiperidin-1-yl)-2,3-dimethyl-4H-pyrimidine?
The canonical SMILES for 5-(4-ethenylpiperidin-1-yl)-2,3-dimethyl-4H-pyrimidine is C=CC1CCN(C2=CN=C(C)N(C)C2)CC1.
What is the InChIKey of 5-(4-ethenylpiperidin-1-yl)-2,3-dimethyl-4H-pyrimidine?
The InChIKey is VIXDWLRYHUIBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-4-12-5-7-16(8-6-12)13-9-14-11(2)15(3)10-13/h4,9,12H,1,5-8,10H2,2-3H3.
What are the key properties of 5-(4-ethenylpiperidin-1-yl)-2,3-dimethyl-4H-pyrimidine?
5-(4-ethenylpiperidin-1-yl)-2,3-dimethyl-4H-pyrimidine has a molecular weight of 219.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylpiperidin-1-yl)-2,3-dimethyl-4H-pyrimidine is sourced from PubChem (CID 143519239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).