4-methoxy-2-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidine

C15H23N3O2 — CID 56753899

IUPAC4-methoxy-2-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidine
SMILESC=CCCC(CN1CCCC1)Oc1nccc(OC)n1
InChIInChI=1S/C15H23N3O2/c1-3-4-7-13(12-18-10-5-6-11-18)20-15-16-9-8-14(17-15)19-2/h3,8-9,13H,1,4-7,10-12H2,2H3
InChIKeyCLNZLRZXWRIHLS-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.29
Rot. Bonds8

About 4-methoxy-2-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidine

4-methoxy-2-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidine (PubChem CID 56753899) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-methoxy-2-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidine
PubChem CID56753899
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-methoxy-2-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidine
SMILESC=CCCC(CN1CCCC1)Oc1nccc(OC)n1
InChIInChI=1S/C15H23N3O2/c1-3-4-7-13(12-18-10-5-6-11-18)20-15-16-9-8-14(17-15)19-2/h3,8-9,13H,1,4-7,10-12H2,2H3
InChIKeyCLNZLRZXWRIHLS-UHFFFAOYSA-N
XLogP2.29
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.29
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 4-methoxy-2-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidine?
The IUPAC name of 4-methoxy-2-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidine (CID 56753899) is 4-methoxy-2-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidine.
What is the SMILES notation for 4-methoxy-2-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidine?
The canonical SMILES for 4-methoxy-2-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidine is C=CCCC(CN1CCCC1)Oc1nccc(OC)n1.
What is the InChIKey of 4-methoxy-2-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidine?
The InChIKey is CLNZLRZXWRIHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-4-7-13(12-18-10-5-6-11-18)20-15-16-9-8-14(17-15)19-2/h3,8-9,13H,1,4-7,10-12H2,2H3.
What are the key properties of 4-methoxy-2-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidine?
4-methoxy-2-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidine has a molecular weight of 277.37 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)pyrimidine is sourced from PubChem (CID 56753899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).