[4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol

C14H17N3O3 — CID 107745155

IUPAC[4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
SMILESCCc1c(N)ncnc1Oc1ccc(CO)cc1OC
InChIInChI=1S/C14H17N3O3/c1-3-10-13(15)16-8-17-14(10)20-11-5-4-9(7-18)6-12(11)19-2/h4-6,8,18H,3,7H2,1-2H3,(H2,15,16,17)
InChIKeyXYHVXJBSGIBZMA-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.91
Rot. Bonds5

About [4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol

[4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol (PubChem CID 107745155) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is [4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
PubChem CID107745155
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name[4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
SMILESCCc1c(N)ncnc1Oc1ccc(CO)cc1OC
InChIInChI=1S/C14H17N3O3/c1-3-10-13(15)16-8-17-14(10)20-11-5-4-9(7-18)6-12(11)19-2/h4-6,8,18H,3,7H2,1-2H3,(H2,15,16,17)
InChIKeyXYHVXJBSGIBZMA-UHFFFAOYSA-N
XLogP1.91
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol
CID 80872602
6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine
CID 87389846
2-[4-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710167
[4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol
CID 107742464
(3-methoxy-4-pyridin-2-yloxyphenyl)methanol
CID 103610323
5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine
CID 80863933
5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
CID 103202408
[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol
CID 107742492
[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol
CID 107745130
6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine
CID 104708785
[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol
CID 107742518
6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine
CID 80867275

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol?
The IUPAC name of [4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol (CID 107745155) is [4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol?
The canonical SMILES for [4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol is CCc1c(N)ncnc1Oc1ccc(CO)cc1OC.
What is the InChIKey of [4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol?
The InChIKey is XYHVXJBSGIBZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-10-13(15)16-8-17-14(10)20-11-5-4-9(7-18)6-12(11)19-2/h4-6,8,18H,3,7H2,1-2H3,(H2,15,16,17).
What are the key properties of [4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol?
[4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol has a molecular weight of 275.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol is sourced from PubChem (CID 107745155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).