[3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol

C16H21N3O2 — CID 80942920

IUPAC[3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol
SMILESCCCc1nc(NCC)cc(Oc2cccc(CO)c2)n1
InChIInChI=1S/C16H21N3O2/c1-3-6-14-18-15(17-4-2)10-16(19-14)21-13-8-5-7-12(9-13)11-20/h5,7-10,20H,3-4,6,11H2,1-2H3,(H,17,18,19)
InChIKeyYXYSXCHNTSDAKZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.15
Rot. Bonds7

About [3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol

[3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol (PubChem CID 80942920) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol
PubChem CID80942920
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol
SMILESCCCc1nc(NCC)cc(Oc2cccc(CO)c2)n1
InChIInChI=1S/C16H21N3O2/c1-3-6-14-18-15(17-4-2)10-16(19-14)21-13-8-5-7-12(9-13)11-20/h5,7-10,20H,3-4,6,11H2,1-2H3,(H,17,18,19)
InChIKeyYXYSXCHNTSDAKZ-UHFFFAOYSA-N
XLogP3.15
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80966723
6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80950205
6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80949548
6-phenoxy-N,2-dipropylpyrimidin-4-amine
CID 80949625
4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile
CID 80944234
[6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947768
N-ethyl-6-(2-methoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80944699
6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine
CID 80939069
(6-phenoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80946591
6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine
CID 106192754
6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80942643
[3-[[6-(ethylamino)-3-pyridinyl]methoxy]phenyl]methanol
CID 62189596

Frequently Asked Questions

What is the IUPAC name of [3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol?
The IUPAC name of [3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol (CID 80942920) is [3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol.
What is the SMILES notation for [3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol?
The canonical SMILES for [3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol is CCCc1nc(NCC)cc(Oc2cccc(CO)c2)n1.
What is the InChIKey of [3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol?
The InChIKey is YXYSXCHNTSDAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-6-14-18-15(17-4-2)10-16(19-14)21-13-8-5-7-12(9-13)11-20/h5,7-10,20H,3-4,6,11H2,1-2H3,(H,17,18,19).
What are the key properties of [3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol?
[3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol has a molecular weight of 287.36 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol is sourced from PubChem (CID 80942920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).