4-methoxy-2-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyrimidine

C15H23N3O2 — CID 95215278

IUPAC4-methoxy-2-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyrimidine
SMILESC=CCC[C@@H](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/t13-/m0/s1
InChIKeyCLNZLRZXWRIHLS-ZDUSSCGKSA-N
MW277.37 g/mol
LogP2.29
Rot. Bonds8

About 4-methoxy-2-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyrimidine

4-methoxy-2-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyrimidine (PubChem CID 95215278) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-methoxy-2-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyrimidine
PubChem CID95215278
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-methoxy-2-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyrimidine
SMILESC=CCC[C@@H](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/t13-/m0/s1
InChIKeyCLNZLRZXWRIHLS-ZDUSSCGKSA-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-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyrimidine?
The IUPAC name of 4-methoxy-2-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyrimidine (CID 95215278) is 4-methoxy-2-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyrimidine.
What is the SMILES notation for 4-methoxy-2-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyrimidine?
The canonical SMILES for 4-methoxy-2-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyrimidine is C=CCC[C@@H](CN1CCCC1)Oc1nccc(OC)n1.
What is the InChIKey of 4-methoxy-2-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyrimidine?
The InChIKey is CLNZLRZXWRIHLS-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of 4-methoxy-2-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyrimidine?
4-methoxy-2-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyrimidine 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-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyrimidine is sourced from PubChem (CID 95215278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).