5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol

C11H14N2O — CID 137209925

IUPAC5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
SMILESCc1ccc(C2=NCCCN2)c(O)c1
InChIInChI=1S/C11H14N2O/c1-8-3-4-9(10(14)7-8)11-12-5-2-6-13-11/h3-4,7,14H,2,5-6H2,1H3,(H,12,13)
InChIKeyDKNUUSRDJALTFY-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.44
Rot. Bonds1

About 5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol

5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol (PubChem CID 137209925) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol.

Molecular Properties

Compound Name5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
PubChem CID137209925
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
SMILESCc1ccc(C2=NCCCN2)c(O)c1
InChIInChI=1S/C11H14N2O/c1-8-3-4-9(10(14)7-8)11-12-5-2-6-13-11/h3-4,7,14H,2,5-6H2,1H3,(H,12,13)
InChIKeyDKNUUSRDJALTFY-UHFFFAOYSA-N
XLogP1.44
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol
CID 4583261
5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)phenol
CID 137272912
2-(5-fluoro-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine
CID 126982364
2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 171378845
2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine
CID 142160804
N-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 143153215
2-[2-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82242953
3-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 135546480
4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82251166
2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen
CID 142160816
2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole
CID 58041828
5-methyl-2-(triazin-4-yl)phenol
CID 174861376

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol?
The IUPAC name of 5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol (CID 137209925) is 5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol.
What is the SMILES notation for 5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol?
The canonical SMILES for 5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol is Cc1ccc(C2=NCCCN2)c(O)c1.
What is the InChIKey of 5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol?
The InChIKey is DKNUUSRDJALTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-3-4-9(10(14)7-8)11-12-5-2-6-13-11/h3-4,7,14H,2,5-6H2,1H3,(H,12,13).
What are the key properties of 5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol?
5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol has a molecular weight of 190.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol is sourced from PubChem (CID 137209925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).