2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine

C14H24N2O — CID 130337407

IUPAC2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine
SMILESCCCCCCC(C)(C)Oc1cnc(C)nc1
InChIInChI=1S/C14H24N2O/c1-5-6-7-8-9-14(3,4)17-13-10-15-12(2)16-11-13/h10-11H,5-9H2,1-4H3
InChIKeyLDVROJYQLACROG-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.91
Rot. Bonds7

About 2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine

2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine (PubChem CID 130337407) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine.

Molecular Properties

Compound Name2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine
PubChem CID130337407
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine
SMILESCCCCCCC(C)(C)Oc1cnc(C)nc1
InChIInChI=1S/C14H24N2O/c1-5-6-7-8-9-14(3,4)17-13-10-15-12(2)16-11-13/h10-11H,5-9H2,1-4H3
InChIKeyLDVROJYQLACROG-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
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-(7-methyltridecan-7-yloxy)pyrimidin-2-amine
CID 155370865
5-methoxy-2-(2-methyloctan-2-yl)pyrimidine
CID 126596037
2-methyl-5-(4-methyloctan-4-yl)pyrimidine
CID 130337188
2-methylicosan-2-yloxysilane
CID 173002328
CID 68585978
CID 68585978
2-hydroperoxy-2-methyltridecane
CID 140639786
2-hydroperoxy-2-methylnonane
CID 15188455
2-ethoxy-2-methylundecane
CID 150956805
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
2-fluoro-5-methyl-1-(5-methyldodecan-5-yl)imidazole
CID 146378039
CID 87506854
CID 87506854
5-methyl-1-(6-methyltridecan-6-yl)imidazole
CID 146379596

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine?
The IUPAC name of 2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine (CID 130337407) is 2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine.
What is the SMILES notation for 2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine?
The canonical SMILES for 2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine is CCCCCCC(C)(C)Oc1cnc(C)nc1.
What is the InChIKey of 2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine?
The InChIKey is LDVROJYQLACROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-6-7-8-9-14(3,4)17-13-10-15-12(2)16-11-13/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine?
2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine has a molecular weight of 236.36 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methyloctan-2-yloxy)pyrimidine is sourced from PubChem (CID 130337407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).