[2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol

C16H21N3O2 — CID 80966539

IUPAC[2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol
SMILESCCNc1cc(Oc2ccccc2CO)nc(C(C)C)n1
InChIInChI=1S/C16H21N3O2/c1-4-17-14-9-15(19-16(18-14)11(2)3)21-13-8-6-5-7-12(13)10-20/h5-9,11,20H,4,10H2,1-3H3,(H,17,18,19)
InChIKeyDUTRLCPCGKLWTK-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.32
Rot. Bonds6

About [2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol

[2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol (PubChem CID 80966539) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol
PubChem CID80966539
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol
SMILESCCNc1cc(Oc2ccccc2CO)nc(C(C)C)n1
InChIInChI=1S/C16H21N3O2/c1-4-17-14-9-15(19-16(18-14)11(2)3)21-13-8-6-5-7-12(13)10-20/h5-9,11,20H,4,10H2,1-3H3,(H,17,18,19)
InChIKeyDUTRLCPCGKLWTK-UHFFFAOYSA-N
XLogP3.32
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol
CID 80962451
[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanol
CID 107713532
N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 102988989
6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80965984
6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80966273
6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80966343
6-[3-(dimethylamino)propoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963365
[6-(2-iodophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980270
6-but-3-yn-2-yloxy-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 106795289
6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963169
[2-[[5-(ethylamino)-3-pyridinyl]oxy]phenyl]methanol
CID 113424392
[2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyphenyl]methanol
CID 107713463

Frequently Asked Questions

What is the IUPAC name of [2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol?
The IUPAC name of [2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol (CID 80966539) is [2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol.
What is the SMILES notation for [2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol?
The canonical SMILES for [2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol is CCNc1cc(Oc2ccccc2CO)nc(C(C)C)n1.
What is the InChIKey of [2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol?
The InChIKey is DUTRLCPCGKLWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-17-14-9-15(19-16(18-14)11(2)3)21-13-8-6-5-7-12(13)10-20/h5-9,11,20H,4,10H2,1-3H3,(H,17,18,19).
What are the key properties of [2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol?
[2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol has a molecular weight of 287.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol is sourced from PubChem (CID 80966539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).