[2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol

C16H21N3O2 — CID 80990380

IUPAC[2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol
SMILESCCNc1nc(CC)nc(Oc2ccccc2CO)c1C
InChIInChI=1S/C16H21N3O2/c1-4-14-18-15(17-5-2)11(3)16(19-14)21-13-9-7-6-8-12(13)10-20/h6-9,20H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyRYSUZZNUNNJRBJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.06
Rot. Bonds6

About [2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol

[2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol (PubChem CID 80990380) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol
PubChem CID80990380
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol
SMILESCCNc1nc(CC)nc(Oc2ccccc2CO)c1C
InChIInChI=1S/C16H21N3O2/c1-4-14-18-15(17-5-2)11(3)16(19-14)21-13-9-7-6-8-12(13)10-20/h6-9,20H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyRYSUZZNUNNJRBJ-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80988469
6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989084
[2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000967
6-(2-bromo-4-chlorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989565
6-N,2-diethyl-5-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80985830
6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80859735
N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
[2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 80973268
6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80987958
N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine
CID 80988312
6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80989830
6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989417

Frequently Asked Questions

What is the IUPAC name of [2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol?
The IUPAC name of [2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol (CID 80990380) is [2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol.
What is the SMILES notation for [2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol?
The canonical SMILES for [2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol is CCNc1nc(CC)nc(Oc2ccccc2CO)c1C.
What is the InChIKey of [2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol?
The InChIKey is RYSUZZNUNNJRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-14-18-15(17-5-2)11(3)16(19-14)21-13-9-7-6-8-12(13)10-20/h6-9,20H,4-5,10H2,1-3H3,(H,17,18,19).
What are the key properties of [2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol?
[2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol has a molecular weight of 287.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol is sourced from PubChem (CID 80990380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).