3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol

C13H14N2O2 — CID 107922082

IUPAC3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol
SMILESCc1nc(-c2cccc(O)c2)ncc1C(C)O
InChIInChI=1S/C13H14N2O2/c1-8-12(9(2)16)7-14-13(15-8)10-4-3-5-11(17)6-10/h3-7,9,16-17H,1-2H3
InChIKeyCYFBAUKMKLJJOF-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.21
Rot. Bonds2

About 3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol

3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol (PubChem CID 107922082) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol
PubChem CID107922082
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol
SMILESCc1nc(-c2cccc(O)c2)ncc1C(C)O
InChIInChI=1S/C13H14N2O2/c1-8-12(9(2)16)7-14-13(15-8)10-4-3-5-11(17)6-10/h3-7,9,16-17H,1-2H3
InChIKeyCYFBAUKMKLJJOF-UHFFFAOYSA-N
XLogP2.21
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-(3,4-dimethoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431547
(1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431586
1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 55182363
(1R)-1-[2-(3-bromo-4-methoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106951244
(1S)-1-[2-(3-bromo-4-methoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106951245
(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol
CID 103431340
(1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 94587738
(1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431623
(1S)-1-[2-(3-bromo-5-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431635
(1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol
CID 103431263
(1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 114015484
(1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol
CID 103431364

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol?
The IUPAC name of 3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol (CID 107922082) is 3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol is Cc1nc(-c2cccc(O)c2)ncc1C(C)O.
What is the InChIKey of 3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol?
The InChIKey is CYFBAUKMKLJJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-12(9(2)16)7-14-13(15-8)10-4-3-5-11(17)6-10/h3-7,9,16-17H,1-2H3.
What are the key properties of 3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol?
3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol has a molecular weight of 230.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 107922082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).