1-(2-methylpyrimidin-4-yl)octan-1-ol

C13H22N2O — CID 115527924

IUPAC1-(2-methylpyrimidin-4-yl)octan-1-ol
SMILESCCCCCCCC(O)c1ccnc(C)n1
InChIInChI=1S/C13H22N2O/c1-3-4-5-6-7-8-13(16)12-9-10-14-11(2)15-12/h9-10,13,16H,3-8H2,1-2H3
InChIKeyMKBBIBDUGGTCHA-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.18
Rot. Bonds7

About 1-(2-methylpyrimidin-4-yl)octan-1-ol

1-(2-methylpyrimidin-4-yl)octan-1-ol (PubChem CID 115527924) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)octan-1-ol.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)octan-1-ol
PubChem CID115527924
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(2-methylpyrimidin-4-yl)octan-1-ol
SMILESCCCCCCCC(O)c1ccnc(C)n1
InChIInChI=1S/C13H22N2O/c1-3-4-5-6-7-8-13(16)12-9-10-14-11(2)15-12/h9-10,13,16H,3-8H2,1-2H3
InChIKeyMKBBIBDUGGTCHA-UHFFFAOYSA-N
XLogP3.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpyrimidin-4-yl)tridecan-1-ol
CID 115528032
4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol
CID 82408295
1-(2-methylpyrimidin-4-yl)undecylhydrazine
CID 105260655
N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine
CID 115530489
N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine
CID 113329619
1-(4-methyl-2-pyridinyl)tridecan-1-ol
CID 63840083
4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol
CID 103035234
3-hydroxy-3-(2-methylpyrimidin-4-yl)propanal
CID 114795373
2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol
CID 115529993
2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 115527940
1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol
CID 82400121
1-pyridin-4-yltridecan-1-ol
CID 63410309

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)octan-1-ol?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)octan-1-ol (CID 115527924) is 1-(2-methylpyrimidin-4-yl)octan-1-ol.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)octan-1-ol?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)octan-1-ol is CCCCCCCC(O)c1ccnc(C)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)octan-1-ol?
The InChIKey is MKBBIBDUGGTCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-4-5-6-7-8-13(16)12-9-10-14-11(2)15-12/h9-10,13,16H,3-8H2,1-2H3.
What are the key properties of 1-(2-methylpyrimidin-4-yl)octan-1-ol?
1-(2-methylpyrimidin-4-yl)octan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)octan-1-ol is sourced from PubChem (CID 115527924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).