2-hexoxy-5-hexylpyrimidine

C16H28N2O — CID 67907771

IUPAC2-hexoxy-5-hexylpyrimidine
SMILESCCCCCCOc1ncc(CCCCCC)cn1
InChIInChI=1S/C16H28N2O/c1-3-5-7-9-11-15-13-17-16(18-14-15)19-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyQRTLLFBOJISDFF-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.56
Rot. Bonds11

About 2-hexoxy-5-hexylpyrimidine

2-hexoxy-5-hexylpyrimidine (PubChem CID 67907771) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-hexoxy-5-hexylpyrimidine.

Molecular Properties

Compound Name2-hexoxy-5-hexylpyrimidine
PubChem CID67907771
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-hexoxy-5-hexylpyrimidine
SMILESCCCCCCOc1ncc(CCCCCC)cn1
InChIInChI=1S/C16H28N2O/c1-3-5-7-9-11-15-13-17-16(18-14-15)19-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyQRTLLFBOJISDFF-UHFFFAOYSA-N
XLogP4.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-heptyl-2-hexoxypyrimidine
CID 102401723
2-octoxypyrimidin-5-amine
CID 61145971
5-hexyl-2-(4-octoxyphenyl)pyrimidine
CID 3126246
2-(2,3-difluoro-4-heptoxyphenyl)-5-heptylpyrimidine
CID 19763062
2-(2-hexoxyphenyl)-5-octylpyrimidine
CID 19840010
2-dodecoxypyrimidine-5-carboxylic acid
CID 19979019
2,5-bis[5-(4-hexoxybutyl)-2-pyridinyl]pyrazine
CID 22412878
2-(4-butoxyphenyl)-5-octylpyrimidine;hexane;propane
CID 159870433
2-pentoxy-1,3,5-triazine
CID 68953481
5-octyl-2-[4-[3-[4-[4-[3-[4-(5-octylpyrimidin-2-yl)phenoxy]propoxy]phenyl]phenoxy]propoxy]phenyl]pyrimidine
CID 177473133
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482
1-butyl-3,5-di(octacosoxy)benzene
CID 91381222

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-5-hexylpyrimidine?
The IUPAC name of 2-hexoxy-5-hexylpyrimidine (CID 67907771) is 2-hexoxy-5-hexylpyrimidine.
What is the SMILES notation for 2-hexoxy-5-hexylpyrimidine?
The canonical SMILES for 2-hexoxy-5-hexylpyrimidine is CCCCCCOc1ncc(CCCCCC)cn1.
What is the InChIKey of 2-hexoxy-5-hexylpyrimidine?
The InChIKey is QRTLLFBOJISDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-5-7-9-11-15-13-17-16(18-14-15)19-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-hexoxy-5-hexylpyrimidine?
2-hexoxy-5-hexylpyrimidine has a molecular weight of 264.41 g/mol, XLogP of 4.56, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-5-hexylpyrimidine is sourced from PubChem (CID 67907771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).