4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine

C13H19N3O — CID 133465389

IUPAC4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine
SMILESC=CCOC1CCN(c2ncc(C)c(C)n2)C1
InChIInChI=1S/C13H19N3O/c1-4-7-17-12-5-6-16(9-12)13-14-8-10(2)11(3)15-13/h4,8,12H,1,5-7,9H2,2-3H3
InChIKeyCPEOVWRVECFYDS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.87
Rot. Bonds4

About 4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine

4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine (PubChem CID 133465389) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine
PubChem CID133465389
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine
SMILESC=CCOC1CCN(c2ncc(C)c(C)n2)C1
InChIInChI=1S/C13H19N3O/c1-4-7-17-12-5-6-16(9-12)13-14-8-10(2)11(3)15-13/h4,8,12H,1,5-7,9H2,2-3H3
InChIKeyCPEOVWRVECFYDS-UHFFFAOYSA-N
XLogP1.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine?
The IUPAC name of 4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine (CID 133465389) is 4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine is C=CCOC1CCN(c2ncc(C)c(C)n2)C1.
What is the InChIKey of 4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine?
The InChIKey is CPEOVWRVECFYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-7-17-12-5-6-16(9-12)13-14-8-10(2)11(3)15-13/h4,8,12H,1,5-7,9H2,2-3H3.
What are the key properties of 4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine?
4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine has a molecular weight of 233.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 133465389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).