(2,3-dimethylphenyl)-pyrimidin-4-ylmethanol

C13H14N2O — CID 63988087

IUPAC(2,3-dimethylphenyl)-pyrimidin-4-ylmethanol
SMILESCc1cccc(C(O)c2ccncn2)c1C
InChIInChI=1S/C13H14N2O/c1-9-4-3-5-11(10(9)2)13(16)12-6-7-14-8-15-12/h3-8,13,16H,1-2H3
InChIKeyYWPDERFDBDSGJR-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.18
Rot. Bonds2

About (2,3-dimethylphenyl)-pyrimidin-4-ylmethanol

(2,3-dimethylphenyl)-pyrimidin-4-ylmethanol (PubChem CID 63988087) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-pyrimidin-4-ylmethanol.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-pyrimidin-4-ylmethanol
PubChem CID63988087
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(2,3-dimethylphenyl)-pyrimidin-4-ylmethanol
SMILESCc1cccc(C(O)c2ccncn2)c1C
InChIInChI=1S/C13H14N2O/c1-9-4-3-5-11(10(9)2)13(16)12-6-7-14-8-15-12/h3-8,13,16H,1-2H3
InChIKeyYWPDERFDBDSGJR-UHFFFAOYSA-N
XLogP2.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,3-dimethylphenyl)-pyrimidin-4-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-pyrimidin-4-ylmethanol?
The IUPAC name of (2,3-dimethylphenyl)-pyrimidin-4-ylmethanol (CID 63988087) is (2,3-dimethylphenyl)-pyrimidin-4-ylmethanol.
What is the SMILES notation for (2,3-dimethylphenyl)-pyrimidin-4-ylmethanol?
The canonical SMILES for (2,3-dimethylphenyl)-pyrimidin-4-ylmethanol is Cc1cccc(C(O)c2ccncn2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-pyrimidin-4-ylmethanol?
The InChIKey is YWPDERFDBDSGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-4-3-5-11(10(9)2)13(16)12-6-7-14-8-15-12/h3-8,13,16H,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-pyrimidin-4-ylmethanol?
(2,3-dimethylphenyl)-pyrimidin-4-ylmethanol has a molecular weight of 214.27 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 (2,3-dimethylphenyl)-pyrimidin-4-ylmethanol is sourced from PubChem (CID 63988087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).