4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol

C12H20N2O2 — CID 103035234

IUPAC4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol
SMILESCOC(C)(C)CCC(O)c1ccnc(C)n1
InChIInChI=1S/C12H20N2O2/c1-9-13-8-6-10(14-9)11(15)5-7-12(2,3)16-4/h6,8,11,15H,5,7H2,1-4H3
InChIKeyJYJMONLZMDFNIT-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.02
Rot. Bonds5

About 4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol

4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol (PubChem CID 103035234) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol
PubChem CID103035234
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol
SMILESCOC(C)(C)CCC(O)c1ccnc(C)n1
InChIInChI=1S/C12H20N2O2/c1-9-13-8-6-10(14-9)11(15)5-7-12(2,3)16-4/h6,8,11,15H,5,7H2,1-4H3
InChIKeyJYJMONLZMDFNIT-UHFFFAOYSA-N
XLogP2.02
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol
CID 82408295
1-(2-methylpyrimidin-4-yl)octan-1-ol
CID 115527924
1-(2-methylpyrimidin-4-yl)tridecan-1-ol
CID 115528032
4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol
CID 103348199
4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229
3-hydroxy-3-(2-methylpyrimidin-4-yl)propanal
CID 114795373
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol
CID 103028152
4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol
CID 103028364
4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol
CID 103035297
1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028171
2-cyclobutyl-1-(2-methylpyrimidin-4-yl)ethanol
CID 115529993

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol?
The IUPAC name of 4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol (CID 103035234) is 4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol.
What is the SMILES notation for 4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol?
The canonical SMILES for 4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol is COC(C)(C)CCC(O)c1ccnc(C)n1.
What is the InChIKey of 4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol?
The InChIKey is JYJMONLZMDFNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-13-8-6-10(14-9)11(15)5-7-12(2,3)16-4/h6,8,11,15H,5,7H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol?
4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol is sourced from PubChem (CID 103035234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).