5-methoxy-2-(2-methyloctan-2-yl)pyrimidine

C14H24N2O — CID 126596037

IUPAC5-methoxy-2-(2-methyloctan-2-yl)pyrimidine
SMILESCCCCCCC(C)(C)c1ncc(OC)cn1
InChIInChI=1S/C14H24N2O/c1-5-6-7-8-9-14(2,3)13-15-10-12(17-4)11-16-13/h10-11H,5-9H2,1-4H3
InChIKeyRSXHUKYTFTUCTM-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.73
Rot. Bonds7

About 5-methoxy-2-(2-methyloctan-2-yl)pyrimidine

5-methoxy-2-(2-methyloctan-2-yl)pyrimidine (PubChem CID 126596037) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-methoxy-2-(2-methyloctan-2-yl)pyrimidine.

Molecular Properties

Compound Name5-methoxy-2-(2-methyloctan-2-yl)pyrimidine
PubChem CID126596037
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5-methoxy-2-(2-methyloctan-2-yl)pyrimidine
SMILESCCCCCCC(C)(C)c1ncc(OC)cn1
InChIInChI=1S/C14H24N2O/c1-5-6-7-8-9-14(2,3)13-15-10-12(17-4)11-16-13/h10-11H,5-9H2,1-4H3
InChIKeyRSXHUKYTFTUCTM-UHFFFAOYSA-N
XLogP3.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.73
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-methoxy-2-tridecan-7-ylpyrimidine
CID 166765750
2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane
CID 168996406
2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine
CID 130337407
3-methoxy-5-(2-methylhexan-2-yl)pyridine
CID 130238683
5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine
CID 155370865
1-methoxy-4-[2-(4-methoxyphenyl)tridecan-2-yl]benzene
CID 171405837
5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine
CID 130435856
4-(2-methyloctan-2-yl)-1H-pyrazole
CID 155027253
5-fluoro-2-(2-methylpentan-2-yl)pyrimidine
CID 146430890
1-methoxy-2-(2-methylundecan-2-yl)benzene
CID 56625929
2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole
CID 167202889
5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine
CID 139524806

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methyloctan-2-yl)pyrimidine?
The IUPAC name of 5-methoxy-2-(2-methyloctan-2-yl)pyrimidine (CID 126596037) is 5-methoxy-2-(2-methyloctan-2-yl)pyrimidine.
What is the SMILES notation for 5-methoxy-2-(2-methyloctan-2-yl)pyrimidine?
The canonical SMILES for 5-methoxy-2-(2-methyloctan-2-yl)pyrimidine is CCCCCCC(C)(C)c1ncc(OC)cn1.
What is the InChIKey of 5-methoxy-2-(2-methyloctan-2-yl)pyrimidine?
The InChIKey is RSXHUKYTFTUCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-6-7-8-9-14(2,3)13-15-10-12(17-4)11-16-13/h10-11H,5-9H2,1-4H3.
What are the key properties of 5-methoxy-2-(2-methyloctan-2-yl)pyrimidine?
5-methoxy-2-(2-methyloctan-2-yl)pyrimidine has a molecular weight of 236.36 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methyloctan-2-yl)pyrimidine is sourced from PubChem (CID 126596037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).