5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine

C19H32N2O3 — CID 134488902

IUPAC5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine
SMILESCC(C)(C)OCCCc1ncc(OC2CC(OC(C)(C)C)C2)cn1
InChIInChI=1S/C19H32N2O3/c1-18(2,3)22-9-7-8-17-20-12-16(13-21-17)23-14-10-15(11-14)24-19(4,5)6/h12-15H,7-11H2,1-6H3
InChIKeyWRNZFYOURCHJCG-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.95
Rot. Bonds7

About 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine

5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine (PubChem CID 134488902) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine.

Molecular Properties

Compound Name5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine
PubChem CID134488902
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine
SMILESCC(C)(C)OCCCc1ncc(OC2CC(OC(C)(C)C)C2)cn1
InChIInChI=1S/C19H32N2O3/c1-18(2,3)22-9-7-8-17-20-12-16(13-21-17)23-14-10-15(11-14)24-19(4,5)6/h12-15H,7-11H2,1-6H3
InChIKeyWRNZFYOURCHJCG-UHFFFAOYSA-N
XLogP3.95
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine?
The IUPAC name of 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine (CID 134488902) is 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine.
What is the SMILES notation for 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine?
The canonical SMILES for 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine is CC(C)(C)OCCCc1ncc(OC2CC(OC(C)(C)C)C2)cn1.
What is the InChIKey of 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine?
The InChIKey is WRNZFYOURCHJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-18(2,3)22-9-7-8-17-20-12-16(13-21-17)23-14-10-15(11-14)24-19(4,5)6/h12-15H,7-11H2,1-6H3.
What are the key properties of 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine?
5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine has a molecular weight of 336.48 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine is sourced from PubChem (CID 134488902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).