2-chloro-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine

C10H13ClN4O — CID 62868757

IUPAC2-chloro-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESC=CCOc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C10H13ClN4O/c1-2-7-16-10-13-8(11)12-9(14-10)15-5-3-4-6-15/h2H,1,3-7H2
InChIKeyNVCCCVZOQYTICR-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.69
Rot. Bonds4

About 2-chloro-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine

2-chloro-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 62868757) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-chloro-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID62868757
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name2-chloro-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESC=CCOc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C10H13ClN4O/c1-2-7-16-10-13-8(11)12-9(14-10)15-5-3-4-6-15/h2H,1,3-7H2
InChIKeyNVCCCVZOQYTICR-UHFFFAOYSA-N
XLogP1.69
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-chloro-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine (CID 62868757) is 2-chloro-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine is C=CCOc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 2-chloro-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is NVCCCVZOQYTICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-2-7-16-10-13-8(11)12-9(14-10)15-5-3-4-6-15/h2H,1,3-7H2.
What are the key properties of 2-chloro-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
2-chloro-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 240.69 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 62868757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).