2-methyl-5-(3-methylphenoxy)-1H-pyrimidin-6-one

C12H12N2O2 — CID 134112517

IUPAC2-methyl-5-(3-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1cccc(Oc2cnc(C)[nH]c2=O)c1
InChIInChI=1S/C12H12N2O2/c1-8-4-3-5-10(6-8)16-11-7-13-9(2)14-12(11)15/h3-7H,1-2H3,(H,13,14,15)
InChIKeyJIWGUNKLMUZWHP-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.18
Rot. Bonds2

About 2-methyl-5-(3-methylphenoxy)-1H-pyrimidin-6-one

2-methyl-5-(3-methylphenoxy)-1H-pyrimidin-6-one (PubChem CID 134112517) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-methyl-5-(3-methylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-(3-methylphenoxy)-1H-pyrimidin-6-one
PubChem CID134112517
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-methyl-5-(3-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1cccc(Oc2cnc(C)[nH]c2=O)c1
InChIInChI=1S/C12H12N2O2/c1-8-4-3-5-10(6-8)16-11-7-13-9(2)14-12(11)15/h3-7H,1-2H3,(H,13,14,15)
InChIKeyJIWGUNKLMUZWHP-UHFFFAOYSA-N
XLogP2.18
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(3-methylphenoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137254828
1,2,3-tris(3-methylphenoxy)benzene
CID 139940681
methanesulfonic acid;3-(3-methylphenoxy)pyridine
CID 117068642
2-(3-methylphenoxy)pyrimidine
CID 20603792
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297328
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 55032605
4-(3-methylphenoxy)-1H-imidazol-5-amine
CID 83619594
2-(3-methylphenoxy)phenol
CID 22051950
4-(3-methylphenoxy)-1,2-thiazole
CID 117233619
4-methyl-6-(3-methylphenoxy)pyridin-3-amine
CID 79020882
2-cyclopropyl-4-(3-methylphenoxy)-1H-pyrimidin-6-one
CID 103241116
8-(3-methylphenoxy)isoquinolin-5-amine
CID 103139672

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-(3-methylphenoxy)-1H-pyrimidin-6-one (CID 134112517) is 2-methyl-5-(3-methylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-(3-methylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-(3-methylphenoxy)-1H-pyrimidin-6-one is Cc1cccc(Oc2cnc(C)[nH]c2=O)c1.
What is the InChIKey of 2-methyl-5-(3-methylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is JIWGUNKLMUZWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-4-3-5-10(6-8)16-11-7-13-9(2)14-12(11)15/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 2-methyl-5-(3-methylphenoxy)-1H-pyrimidin-6-one?
2-methyl-5-(3-methylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 216.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 134112517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).