2-(4-methyloctan-4-yloxy)pyrimidine

C13H22N2O — CID 155392643

IUPAC2-(4-methyloctan-4-yloxy)pyrimidine
SMILESCCCCC(C)(CCC)Oc1ncccn1
InChIInChI=1S/C13H22N2O/c1-4-6-9-13(3,8-5-2)16-12-14-10-7-11-15-12/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyMIJGVTUMRUPKTE-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.60
Rot. Bonds7

About 2-(4-methyloctan-4-yloxy)pyrimidine

2-(4-methyloctan-4-yloxy)pyrimidine (PubChem CID 155392643) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(4-methyloctan-4-yloxy)pyrimidine.

Molecular Properties

Compound Name2-(4-methyloctan-4-yloxy)pyrimidine
PubChem CID155392643
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(4-methyloctan-4-yloxy)pyrimidine
SMILESCCCCC(C)(CCC)Oc1ncccn1
InChIInChI=1S/C13H22N2O/c1-4-6-9-13(3,8-5-2)16-12-14-10-7-11-15-12/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyMIJGVTUMRUPKTE-UHFFFAOYSA-N
XLogP3.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine
CID 155370865
4-methylheptan-4-yloxymethylbenzene
CID 20782055
2-(trifluoromethoxy)pyrimidine
CID 23221705
N-butylpyrimidin-2-amine;molecular hydrogen
CID 142213040
3-fluoro-2-(5-methylundecan-5-yl)pyridine
CID 155261820
CID 22228704
CID 22228704
2-methyl-2-propoxyhexane
CID 91043348
2-fluoro-3-(5-methylundecan-5-yl)pyridine
CID 139342335
N-butylpyridin-2-amine
CID 14322668
N-(3-methyldecan-3-yl)pyrimidin-2-amine
CID 155123282
2-bromo-N-pentylpyridin-3-amine
CID 88814302
2-(2-ethoxy-1,1,1-trifluorohexan-2-yl)pyridine
CID 146396869

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyloctan-4-yloxy)pyrimidine?
The IUPAC name of 2-(4-methyloctan-4-yloxy)pyrimidine (CID 155392643) is 2-(4-methyloctan-4-yloxy)pyrimidine.
What is the SMILES notation for 2-(4-methyloctan-4-yloxy)pyrimidine?
The canonical SMILES for 2-(4-methyloctan-4-yloxy)pyrimidine is CCCCC(C)(CCC)Oc1ncccn1.
What is the InChIKey of 2-(4-methyloctan-4-yloxy)pyrimidine?
The InChIKey is MIJGVTUMRUPKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-6-9-13(3,8-5-2)16-12-14-10-7-11-15-12/h7,10-11H,4-6,8-9H2,1-3H3.
What are the key properties of 2-(4-methyloctan-4-yloxy)pyrimidine?
2-(4-methyloctan-4-yloxy)pyrimidine has a molecular weight of 222.33 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyloctan-4-yloxy)pyrimidine is sourced from PubChem (CID 155392643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).