5-(3-methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine

C17H28N2O3 — CID 142365488

IUPAC5-(3-methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine
SMILESCOCC(C)CC(C)Cc1ncc(OC2CC(OC)C2)cn1
InChIInChI=1S/C17H28N2O3/c1-12(5-13(2)11-20-3)6-17-18-9-16(10-19-17)22-15-7-14(8-15)21-4/h9-10,12-15H,5-8,11H2,1-4H3
InChIKeyYFJQGHOWLCATKN-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.88
Rot. Bonds9

About 5-(3-methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine

5-(3-methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine (PubChem CID 142365488) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 5-(3-methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine.

Molecular Properties

Compound Name5-(3-methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine
PubChem CID142365488
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name5-(3-methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine
SMILESCOCC(C)CC(C)Cc1ncc(OC2CC(OC)C2)cn1
InChIInChI=1S/C17H28N2O3/c1-12(5-13(2)11-20-3)6-17-18-9-16(10-19-17)22-15-7-14(8-15)21-4/h9-10,12-15H,5-8,11H2,1-4H3
InChIKeyYFJQGHOWLCATKN-UHFFFAOYSA-N
XLogP2.88
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine?
The IUPAC name of 5-(3-methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine (CID 142365488) is 5-(3-methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine.
What is the SMILES notation for 5-(3-methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine?
The canonical SMILES for 5-(3-methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine is COCC(C)CC(C)Cc1ncc(OC2CC(OC)C2)cn1.
What is the InChIKey of 5-(3-methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine?
The InChIKey is YFJQGHOWLCATKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12(5-13(2)11-20-3)6-17-18-9-16(10-19-17)22-15-7-14(8-15)21-4/h9-10,12-15H,5-8,11H2,1-4H3.
What are the key properties of 5-(3-methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine?
5-(3-methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine has a molecular weight of 308.42 g/mol, XLogP of 2.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine is sourced from PubChem (CID 142365488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).