(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

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Related Compounds

2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 163860499
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779514
2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol
CID 45242537
2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963300
2-[[6-[2,4-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 74950973
1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol
CID 70963319
2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol
CID 143851546
2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963269
4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide
CID 68992001
2-[[6-(3-butoxyphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963321
5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile
CID 70963258
1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol
CID 61224926

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).