3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol

C12H12N2O2 — CID 107680799

IUPAC3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol
SMILESCc1cc(O)cc(Oc2nccc(C)n2)c1
InChIInChI=1S/C12H12N2O2/c1-8-5-10(15)7-11(6-8)16-12-13-4-3-9(2)14-12/h3-7,15H,1-2H3
InChIKeyYQSFNOPNTOELJC-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.59
Rot. Bonds2

About 3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol

3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol (PubChem CID 107680799) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol.

Molecular Properties

Compound Name3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol
PubChem CID107680799
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol
SMILESCc1cc(O)cc(Oc2nccc(C)n2)c1
InChIInChI=1S/C12H12N2O2/c1-8-5-10(15)7-11(6-8)16-12-13-4-3-9(2)14-12/h3-7,15H,1-2H3
InChIKeyYQSFNOPNTOELJC-UHFFFAOYSA-N
XLogP2.59
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-pyrimidin-2-yloxyphenol
CID 107680712
4-methyl-2-(4-methylphenoxy)pyrimidine
CID 155309034
3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol
CID 107680637
2-(4-iodophenoxy)-4-methylpyrimidine
CID 62958901
2-(4-bromophenoxy)-4-methylpyrimidine
CID 62958719
3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol
CID 107680810
4-methyl-2-pyridin-3-yloxypyrimidine
CID 155798550
2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine
CID 104707648
4-methyl-3-(4-methylpyrimidin-2-yl)oxybenzoic acid
CID 62960017
5-(4-methylpyrimidin-2-yl)oxy-2,3-dihydroinden-1-one
CID 133486464
3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
CID 107680779
1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide
CID 119340030

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol?
The IUPAC name of 3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol (CID 107680799) is 3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol.
What is the SMILES notation for 3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol?
The canonical SMILES for 3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol is Cc1cc(O)cc(Oc2nccc(C)n2)c1.
What is the InChIKey of 3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol?
The InChIKey is YQSFNOPNTOELJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-5-10(15)7-11(6-8)16-12-13-4-3-9(2)14-12/h3-7,15H,1-2H3.
What are the key properties of 3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol?
3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol has a molecular weight of 216.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol is sourced from PubChem (CID 107680799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).