5-butoxy-2-(3-butoxycyclobutyl)oxypyrimidine

C16H26N2O3 — CID 90066536

IUPAC5-butoxy-2-(3-butoxycyclobutyl)oxypyrimidine
SMILESCCCCOc1cnc(OC2CC(OCCCC)C2)nc1
InChIInChI=1S/C16H26N2O3/c1-3-5-7-19-13-9-14(10-13)21-16-17-11-15(12-18-16)20-8-6-4-2/h11-14H,3-10H2,1-2H3
InChIKeyCJARFBBMBFLSBV-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.38
Rot. Bonds10

About 5-butoxy-2-(3-butoxycyclobutyl)oxypyrimidine

5-butoxy-2-(3-butoxycyclobutyl)oxypyrimidine (PubChem CID 90066536) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-butoxy-2-(3-butoxycyclobutyl)oxypyrimidine.

Molecular Properties

Compound Name5-butoxy-2-(3-butoxycyclobutyl)oxypyrimidine
PubChem CID90066536
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name5-butoxy-2-(3-butoxycyclobutyl)oxypyrimidine
SMILESCCCCOc1cnc(OC2CC(OCCCC)C2)nc1
InChIInChI=1S/C16H26N2O3/c1-3-5-7-19-13-9-14(10-13)21-16-17-11-15(12-18-16)20-8-6-4-2/h11-14H,3-10H2,1-2H3
InChIKeyCJARFBBMBFLSBV-UHFFFAOYSA-N
XLogP3.38
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.38
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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Related Compounds

2-(3-butoxycyclobutyl)pyrimidin-5-amine
CID 171578987
(1S,5R)-3-butoxy-6-oxabicyclo[3.1.0]hexane
CID 126664173
tert-butyl 4-(3-butoxycyclobutyl)oxybenzoate
CID 177123138
5-heptoxy-2-(4-octoxyphenyl)pyrimidine
CID 14794369
1-(3-butoxycyclobutyl)-4-iodopyrazole
CID 118086328
5-butoxy-2-methylpyridine
CID 13154052
5-octoxy-2-[4-[7-[4-[5-[7-[4-(4-octoxyphenyl)phenoxy]heptoxy]pyrimidin-2-yl]phenoxy]heptoxy]phenyl]pyrimidine
CID 132525748
1-(5-butoxypyrimidin-2-yl)ethanol
CID 170050824
4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634200
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
5-(7-cyclopropylheptoxy)-2-(4-nonoxyphenyl)pyrimidine
CID 14474617

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2-(3-butoxycyclobutyl)oxypyrimidine?
The IUPAC name of 5-butoxy-2-(3-butoxycyclobutyl)oxypyrimidine (CID 90066536) is 5-butoxy-2-(3-butoxycyclobutyl)oxypyrimidine.
What is the SMILES notation for 5-butoxy-2-(3-butoxycyclobutyl)oxypyrimidine?
The canonical SMILES for 5-butoxy-2-(3-butoxycyclobutyl)oxypyrimidine is CCCCOc1cnc(OC2CC(OCCCC)C2)nc1.
What is the InChIKey of 5-butoxy-2-(3-butoxycyclobutyl)oxypyrimidine?
The InChIKey is CJARFBBMBFLSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-5-7-19-13-9-14(10-13)21-16-17-11-15(12-18-16)20-8-6-4-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 5-butoxy-2-(3-butoxycyclobutyl)oxypyrimidine?
5-butoxy-2-(3-butoxycyclobutyl)oxypyrimidine has a molecular weight of 294.40 g/mol, XLogP of 3.38, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-(3-butoxycyclobutyl)oxypyrimidine is sourced from PubChem (CID 90066536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).