(2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol

C16H17N3OS — CID 46213032

IUPAC(2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
SMILESCc1sc2ncnc(N[C@H](CO)c3ccccc3)c2c1C
InChIInChI=1S/C16H17N3OS/c1-10-11(2)21-16-14(10)15(17-9-18-16)19-13(8-20)12-6-4-3-5-7-12/h3-7,9,13,20H,8H2,1-2H3,(H,17,18,19)/t13-/m1/s1
InChIKeyBNILVJXNIAOPIS-CYBMUJFWSA-N
MW299.40 g/mol
LogP3.45
Rot. Bonds4

About (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol

(2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol (PubChem CID 46213032) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
PubChem CID46213032
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name(2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
SMILESCc1sc2ncnc(N[C@H](CO)c3ccccc3)c2c1C
InChIInChI=1S/C16H17N3OS/c1-10-11(2)21-16-14(10)15(17-9-18-16)19-13(8-20)12-6-4-3-5-7-12/h3-7,9,13,20H,8H2,1-2H3,(H,17,18,19)/t13-/m1/s1
InChIKeyBNILVJXNIAOPIS-CYBMUJFWSA-N
XLogP3.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 731283
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol
CID 80812449
(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 1076131
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 103746126
N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60631569
4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol
CID 9110509
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 26036412
3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83180101
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
[1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
CID 115731858
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 4131791

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol (CID 46213032) is (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol is Cc1sc2ncnc(N[C@H](CO)c3ccccc3)c2c1C.
What is the InChIKey of (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol?
The InChIKey is BNILVJXNIAOPIS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10-11(2)21-16-14(10)15(17-9-18-16)19-13(8-20)12-6-4-3-5-7-12/h3-7,9,13,20H,8H2,1-2H3,(H,17,18,19)/t13-/m1/s1.
What are the key properties of (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol?
(2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol has a molecular weight of 299.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol is sourced from PubChem (CID 46213032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).