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

C13H15N3O2 — CID 80872602

IUPAC[3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol
SMILESCCc1c(N)ncnc1Oc1cccc(CO)c1
InChIInChI=1S/C13H15N3O2/c1-2-11-12(14)15-8-16-13(11)18-10-5-3-4-9(6-10)7-17/h3-6,8,17H,2,7H2,1H3,(H2,14,15,16)
InChIKeyWIVFEQNHWDFTBY-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.91
Rot. Bonds4

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

[3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol (PubChem CID 80872602) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol
PubChem CID80872602
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol
SMILESCCc1c(N)ncnc1Oc1cccc(CO)c1
InChIInChI=1S/C13H15N3O2/c1-2-11-12(14)15-8-16-13(11)18-10-5-3-4-9(6-10)7-17/h3-6,8,17H,2,7H2,1H3,(H2,14,15,16)
InChIKeyWIVFEQNHWDFTBY-UHFFFAOYSA-N
XLogP1.91
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine
CID 80863933
[4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107745155
6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine
CID 80876347
2-[4-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710167
[3-(6-aminopyrimidin-4-yl)oxyphenyl]methanol
CID 80873838
5-ethyl-6-quinolin-3-yloxypyrimidin-4-amine
CID 107388395
[3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 79868827
5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80876118
5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 102747880
[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanol
CID 79869651
[2-(3-ethylphenoxy)-3-pyridinyl]methanol
CID 61257308
5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880474

Frequently Asked Questions

What is the IUPAC name of [3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol?
The IUPAC name of [3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol (CID 80872602) is [3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol.
What is the SMILES notation for [3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol?
The canonical SMILES for [3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol is CCc1c(N)ncnc1Oc1cccc(CO)c1.
What is the InChIKey of [3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol?
The InChIKey is WIVFEQNHWDFTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-11-12(14)15-8-16-13(11)18-10-5-3-4-9(6-10)7-17/h3-6,8,17H,2,7H2,1H3,(H2,14,15,16).
What are the key properties of [3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol?
[3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol has a molecular weight of 245.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol is sourced from PubChem (CID 80872602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).