(1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol

C21H19N3OS — CID 9311855

IUPAC(1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol
SMILESCc1nc(NC[C@H](O)c2ccccc2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H19N3OS/c1-14-23-20(22-12-18(25)16-10-6-3-7-11-16)19-17(13-26-21(19)24-14)15-8-4-2-5-9-15/h2-11,13,18,25H,12H2,1H3,(H,22,23,24)/t18-/m0/s1
InChIKeyWWURBWGMNOXJKN-SFHVURJKSA-N
MW361.47 g/mol
LogP4.81
Rot. Bonds5

About (1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol

(1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol (PubChem CID 9311855) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is (1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol
PubChem CID9311855
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name(1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol
SMILESCc1nc(NC[C@H](O)c2ccccc2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H19N3OS/c1-14-23-20(22-12-18(25)16-10-6-3-7-11-16)19-17(13-26-21(19)24-14)15-8-4-2-5-9-15/h2-11,13,18,25H,12H2,1H3,(H,22,23,24)/t18-/m0/s1
InChIKeyWWURBWGMNOXJKN-SFHVURJKSA-N
XLogP4.81
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9211978
5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide
CID 156555279
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779814
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133433969
1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 75422132
(2S)-1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 9310948
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80779208
2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 99802723
2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9280306
(2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol
CID 97246173
N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 28852901
2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848884

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol (CID 9311855) is (1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol is Cc1nc(NC[C@H](O)c2ccccc2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of (1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol?
The InChIKey is WWURBWGMNOXJKN-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-14-23-20(22-12-18(25)16-10-6-3-7-11-16)19-17(13-26-21(19)24-14)15-8-4-2-5-9-15/h2-11,13,18,25H,12H2,1H3,(H,22,23,24)/t18-/m0/s1.
What are the key properties of (1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol?
(1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol has a molecular weight of 361.47 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol is sourced from PubChem (CID 9311855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).