(1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol

C20H21N3O — CID 143851560

IUPAC(1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
SMILESCc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)c(C)c1
InChIInChI=1S/C20H21N3O/c1-14-8-9-17(15(2)10-14)18-11-20(23-13-22-18)21-12-19(24)16-6-4-3-5-7-16/h3-11,13,19,24H,12H2,1-2H3,(H,21,22,23)/t19-/m0/s1
InChIKeyREPNNYMOSKFUSU-IBGZPJMESA-N
MW319.41 g/mol
LogP3.91
Rot. Bonds5

About (1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol

(1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol (PubChem CID 143851560) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
PubChem CID143851560
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
SMILESCc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)c(C)c1
InChIInChI=1S/C20H21N3O/c1-14-8-9-17(15(2)10-14)18-11-20(23-13-22-18)21-12-19(24)16-6-4-3-5-7-16/h3-11,13,19,24H,12H2,1-2H3,(H,21,22,23)/t19-/m0/s1
InChIKeyREPNNYMOSKFUSU-IBGZPJMESA-N
XLogP3.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol 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 (1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol (CID 143851560) is (1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol is Cc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)c(C)c1.
What is the InChIKey of (1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol?
The InChIKey is REPNNYMOSKFUSU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-8-9-17(15(2)10-14)18-11-20(23-13-22-18)21-12-19(24)16-6-4-3-5-7-16/h3-11,13,19,24H,12H2,1-2H3,(H,21,22,23)/t19-/m0/s1.
What are the key properties of (1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol?
(1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol has a molecular weight of 319.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol is sourced from PubChem (CID 143851560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).