2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol

C20H22N4O — CID 70963300

IUPAC2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
SMILESCN(C)c1ccc(-c2cc(NCC(O)c3ccccc3)ncn2)cc1
InChIInChI=1S/C20H22N4O/c1-24(2)17-10-8-15(9-11-17)18-12-20(23-14-22-18)21-13-19(25)16-6-4-3-5-7-16/h3-12,14,19,25H,13H2,1-2H3,(H,21,22,23)
InChIKeyUEIRRVVROVOJMY-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.36
Rot. Bonds6

About 2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol

2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol (PubChem CID 70963300) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
PubChem CID70963300
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
SMILESCN(C)c1ccc(-c2cc(NCC(O)c3ccccc3)ncn2)cc1
InChIInChI=1S/C20H22N4O/c1-24(2)17-10-8-15(9-11-17)18-12-20(23-14-22-18)21-13-19(25)16-6-4-3-5-7-16/h3-12,14,19,25H,13H2,1-2H3,(H,21,22,23)
InChIKeyUEIRRVVROVOJMY-UHFFFAOYSA-N
XLogP3.36
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol
CID 70963319
4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide
CID 68992001
5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile
CID 70963258
2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 163860499
2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol
CID 143851546
(1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 143851560
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779514
2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963269
2-[[6-(3-butoxyphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963321
2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol
CID 45242537
1-phenyl-2-[[6-(4-thiomorpholin-4-ylsulfonylphenyl)pyrimidin-4-yl]amino]ethanol
CID 70963364
2-[[6-(3,4-diiodophenyl)pyrimidin-4-yl]amino]-1-naphthalen-2-ylethanol
CID 163543738

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol?
The IUPAC name of 2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol (CID 70963300) is 2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol?
The canonical SMILES for 2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol is CN(C)c1ccc(-c2cc(NCC(O)c3ccccc3)ncn2)cc1.
What is the InChIKey of 2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol?
The InChIKey is UEIRRVVROVOJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-24(2)17-10-8-15(9-11-17)18-12-20(23-14-22-18)21-13-19(25)16-6-4-3-5-7-16/h3-12,14,19,25H,13H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol?
2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol has a molecular weight of 334.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol is sourced from PubChem (CID 70963300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).