2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol

C15H19N3O2 — CID 107710217

IUPAC2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol
SMILESCC(C)c1nc(N)cc(Oc2ccc(CCO)cc2)n1
InChIInChI=1S/C15H19N3O2/c1-10(2)15-17-13(16)9-14(18-15)20-12-5-3-11(4-6-12)7-8-19/h3-6,9-10,19H,7-8H2,1-2H3,(H2,16,17,18)
InChIKeyWFKVRCIEHSISDD-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.51
Rot. Bonds5

About 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol

2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol (PubChem CID 107710217) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol
PubChem CID107710217
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol
SMILESCC(C)c1nc(N)cc(Oc2ccc(CCO)cc2)n1
InChIInChI=1S/C15H19N3O2/c1-10(2)15-17-13(16)9-14(18-15)20-12-5-3-11(4-6-12)7-8-19/h3-6,9-10,19H,7-8H2,1-2H3,(H2,16,17,18)
InChIKeyWFKVRCIEHSISDD-UHFFFAOYSA-N
XLogP2.51
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile
CID 80965676
6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965679
6-(4-nitrophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966351
6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80963670
2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol
CID 107709110
6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80962777
2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboxamide
CID 107709693
3-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80965673
2-[2-(4-propan-2-yloxyphenoxy)quinoxalin-6-yl]ethanol
CID 91161860
N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 136865767
6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966556
2-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107709611

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol?
The IUPAC name of 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol (CID 107710217) is 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol.
What is the SMILES notation for 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol?
The canonical SMILES for 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol is CC(C)c1nc(N)cc(Oc2ccc(CCO)cc2)n1.
What is the InChIKey of 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol?
The InChIKey is WFKVRCIEHSISDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)15-17-13(16)9-14(18-15)20-12-5-3-11(4-6-12)7-8-19/h3-6,9-10,19H,7-8H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol?
2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol has a molecular weight of 273.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol is sourced from PubChem (CID 107710217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).