2-dodecylpyrimidine;methane

C17H32N2 — CID 174491203

IUPAC2-dodecylpyrimidine;methane
SMILESC.CCCCCCCCCCCCc1ncccn1
InChIInChI=1S/C16H28N2.CH4/c1-2-3-4-5-6-7-8-9-10-11-13-16-17-14-12-15-18-16;/h12,14-15H,2-11,13H2,1H3;1H4
InChIKeyJXFGPYKPKBMZGH-UHFFFAOYSA-N
MW264.46 g/mol
LogP5.58
Rot. Bonds11

About 2-dodecylpyrimidine;methane

2-dodecylpyrimidine;methane (PubChem CID 174491203) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2-dodecylpyrimidine;methane.

Molecular Properties

Compound Name2-dodecylpyrimidine;methane
PubChem CID174491203
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2-dodecylpyrimidine;methane
SMILESC.CCCCCCCCCCCCc1ncccn1
InChIInChI=1S/C16H28N2.CH4/c1-2-3-4-5-6-7-8-9-10-11-13-16-17-14-12-15-18-16;/h12,14-15H,2-11,13H2,1H3;1H4
InChIKeyJXFGPYKPKBMZGH-UHFFFAOYSA-N
XLogP5.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-nonylpyrimidine
CID 23297050
2-hexyl-1,3,5-diazaphosphinine
CID 174848227
2-(6-chlorohexyl)pyrimidine
CID 19872177
2-heptyl-1,3,5-triazine;hydrofluoride
CID 174939388
5-bromo-2-hexylpyrimidine
CID 122446219
3-heptyl-2-methylpyridine
CID 134369519
2,4-dioctadecyl-1,3,5-triazine
CID 91537200
2-chloro-3-dodecylpyridine
CID 54546812
2-dodecyl-3-ethylpyridine
CID 160514040
2-methyl-3-tetradecylpyridine;hydrobromide
CID 175265585
3-dodecyl-2-methylpyridine;hydrochloride
CID 175157533
2-chloro-3-hexylpyridine
CID 54056214

Frequently Asked Questions

What is the IUPAC name of 2-dodecylpyrimidine;methane?
The IUPAC name of 2-dodecylpyrimidine;methane (CID 174491203) is 2-dodecylpyrimidine;methane.
What is the SMILES notation for 2-dodecylpyrimidine;methane?
The canonical SMILES for 2-dodecylpyrimidine;methane is C.CCCCCCCCCCCCc1ncccn1.
What is the InChIKey of 2-dodecylpyrimidine;methane?
The InChIKey is JXFGPYKPKBMZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2.CH4/c1-2-3-4-5-6-7-8-9-10-11-13-16-17-14-12-15-18-16;/h12,14-15H,2-11,13H2,1H3;1H4.
What are the key properties of 2-dodecylpyrimidine;methane?
2-dodecylpyrimidine;methane has a molecular weight of 264.46 g/mol, XLogP of 5.58, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylpyrimidine;methane is sourced from PubChem (CID 174491203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).