2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol

C15H18N2O — CID 116902043

IUPAC2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol
SMILESCc1ccc(-c2ccnc(C(C)(C)O)n2)c(C)c1
InChIInChI=1S/C15H18N2O/c1-10-5-6-12(11(2)9-10)13-7-8-16-14(17-13)15(3,4)18/h5-9,18H,1-4H3
InChIKeyZIWLKNJOQYRUSZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.99
Rot. Bonds2

About 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol

2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol (PubChem CID 116902043) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol
PubChem CID116902043
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol
SMILESCc1ccc(-c2ccnc(C(C)(C)O)n2)c(C)c1
InChIInChI=1S/C15H18N2O/c1-10-5-6-12(11(2)9-10)13-7-8-16-14(17-13)15(3,4)18/h5-9,18H,1-4H3
InChIKeyZIWLKNJOQYRUSZ-UHFFFAOYSA-N
XLogP2.99
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol (CID 116902043) is 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol is Cc1ccc(-c2ccnc(C(C)(C)O)n2)c(C)c1.
What is the InChIKey of 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol?
The InChIKey is ZIWLKNJOQYRUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-5-6-12(11(2)9-10)13-7-8-16-14(17-13)15(3,4)18/h5-9,18H,1-4H3.
What are the key properties of 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol?
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 116902043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).