1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol

C21H23N3OS — CID 70963319

IUPAC1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol
SMILESCC(C)Sc1ccc(-c2cc(NCC(O)c3ccccc3)ncn2)cc1
InChIInChI=1S/C21H23N3OS/c1-15(2)26-18-10-8-16(9-11-18)19-12-21(24-14-23-19)22-13-20(25)17-6-4-3-5-7-17/h3-12,14-15,20,25H,13H2,1-2H3,(H,22,23,24)
InChIKeyRMTCHTKQRSQFFY-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.79
Rot. Bonds7

About 1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol

1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol (PubChem CID 70963319) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol
PubChem CID70963319
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol
SMILESCC(C)Sc1ccc(-c2cc(NCC(O)c3ccccc3)ncn2)cc1
InChIInChI=1S/C21H23N3OS/c1-15(2)26-18-10-8-16(9-11-18)19-12-21(24-14-23-19)22-13-20(25)17-6-4-3-5-7-17/h3-12,14-15,20,25H,13H2,1-2H3,(H,22,23,24)
InChIKeyRMTCHTKQRSQFFY-UHFFFAOYSA-N
XLogP4.79
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963300
4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide
CID 68992001
2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol
CID 143851546
2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 163860499
5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile
CID 70963258
(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
1-phenyl-N'-[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]ethane-1,2-diamine
CID 75602758
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

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol (CID 70963319) is 1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol is CC(C)Sc1ccc(-c2cc(NCC(O)c3ccccc3)ncn2)cc1.
What is the InChIKey of 1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is RMTCHTKQRSQFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15(2)26-18-10-8-16(9-11-18)19-12-21(24-14-23-19)22-13-20(25)17-6-4-3-5-7-17/h3-12,14-15,20,25H,13H2,1-2H3,(H,22,23,24).
What are the key properties of 1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol?
1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 365.50 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 70963319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).