2,5-dimethyl-4-pyrimidin-4-ylphenol

C12H12N2O — CID 136929191

IUPAC2,5-dimethyl-4-pyrimidin-4-ylphenol
SMILESCc1cc(-c2ccncn2)c(C)cc1O
InChIInChI=1S/C12H12N2O/c1-8-6-12(15)9(2)5-10(8)11-3-4-13-7-14-11/h3-7,15H,1-2H3
InChIKeyQDQFNTPVOBICLI-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.47
Rot. Bonds1

About 2,5-dimethyl-4-pyrimidin-4-ylphenol

2,5-dimethyl-4-pyrimidin-4-ylphenol (PubChem CID 136929191) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2,5-dimethyl-4-pyrimidin-4-ylphenol.

Molecular Properties

Compound Name2,5-dimethyl-4-pyrimidin-4-ylphenol
PubChem CID136929191
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2,5-dimethyl-4-pyrimidin-4-ylphenol
SMILESCc1cc(-c2ccncn2)c(C)cc1O
InChIInChI=1S/C12H12N2O/c1-8-6-12(15)9(2)5-10(8)11-3-4-13-7-14-11/h3-7,15H,1-2H3
InChIKeyQDQFNTPVOBICLI-UHFFFAOYSA-N
XLogP2.47
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 1479911
CID 1479911
CID 1479917
CID 1479917
CID 122186118
CID 122186118
CID 122186119
CID 122186119
CID 134138658
CID 134138658
CID 134148661
CID 134148661
CID 134153079
CID 134153079
CID 135857087
CID 135857087
CID 135857088
CID 135857088
CID 135925087
CID 135925087
CID 135960776
CID 135960776
CID 135960808
CID 135960808

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-pyrimidin-4-ylphenol?
The IUPAC name of 2,5-dimethyl-4-pyrimidin-4-ylphenol (CID 136929191) is 2,5-dimethyl-4-pyrimidin-4-ylphenol.
What is the SMILES notation for 2,5-dimethyl-4-pyrimidin-4-ylphenol?
The canonical SMILES for 2,5-dimethyl-4-pyrimidin-4-ylphenol is Cc1cc(-c2ccncn2)c(C)cc1O.
What is the InChIKey of 2,5-dimethyl-4-pyrimidin-4-ylphenol?
The InChIKey is QDQFNTPVOBICLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-6-12(15)9(2)5-10(8)11-3-4-13-7-14-11/h3-7,15H,1-2H3.
What are the key properties of 2,5-dimethyl-4-pyrimidin-4-ylphenol?
2,5-dimethyl-4-pyrimidin-4-ylphenol has a molecular weight of 200.24 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-pyrimidin-4-ylphenol is sourced from PubChem (CID 136929191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).