[5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol

C16H28N2O2 — CID 62087264

IUPAC[5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCCCCC(CC)COc1cnc(C(C)C)nc1CO
InChIInChI=1S/C16H28N2O2/c1-5-7-8-13(6-2)11-20-15-9-17-16(12(3)4)18-14(15)10-19/h9,12-13,19H,5-8,10-11H2,1-4H3
InChIKeyZKXCTJBHDLFIFU-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.69
Rot. Bonds9

About [5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol

[5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol (PubChem CID 62087264) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is [5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
PubChem CID62087264
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name[5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCCCCC(CC)COc1cnc(C(C)C)nc1CO
InChIInChI=1S/C16H28N2O2/c1-5-7-8-13(6-2)11-20-15-9-17-16(12(3)4)18-14(15)10-19/h9,12-13,19H,5-8,10-11H2,1-4H3
InChIKeyZKXCTJBHDLFIFU-UHFFFAOYSA-N
XLogP3.69
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol
CID 62087433
[4-(2-ethylhexoxy)-3-pyridinyl]methanol
CID 81238636
6-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966278
6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989394
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
2,5-bis[5-bromo-3-(2-ethylhexoxy)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 102360479
[5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63648556
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
[2-(2-ethylhexoxy)-3-pyridinyl]methanol
CID 61257576
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 55032605

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The IUPAC name of [5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol (CID 62087264) is [5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol is CCCCC(CC)COc1cnc(C(C)C)nc1CO.
What is the InChIKey of [5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The InChIKey is ZKXCTJBHDLFIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-7-8-13(6-2)11-20-15-9-17-16(12(3)4)18-14(15)10-19/h9,12-13,19H,5-8,10-11H2,1-4H3.
What are the key properties of [5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
[5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol has a molecular weight of 280.41 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 62087264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).