2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol

C16H17N3OS — CID 4796330

IUPAC2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol
SMILESCc1sc2ncnc(NCC(O)c3ccccc3)c2c1C
InChIInChI=1S/C16H17N3OS/c1-10-11(2)21-16-14(10)15(18-9-19-16)17-8-13(20)12-6-4-3-5-7-12/h3-7,9,13,20H,8H2,1-2H3,(H,17,18,19)
InChIKeyZIBBSTQQBNDHGW-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.45
Rot. Bonds4

About 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol

2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol (PubChem CID 4796330) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol
PubChem CID4796330
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol
SMILESCc1sc2ncnc(NCC(O)c3ccccc3)c2c1C
InChIInChI=1S/C16H17N3OS/c1-10-11(2)21-16-14(10)15(18-9-19-16)17-8-13(20)12-6-4-3-5-7-12/h3-7,9,13,20H,8H2,1-2H3,(H,17,18,19)
InChIKeyZIBBSTQQBNDHGW-UHFFFAOYSA-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

(2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 78319175
2-{[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethanol
CID 1946404
3-{[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}propan-1-ol
CID 1948833
1-Phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol
CID 3894843
N-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4783159
2-[Butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 4963499
2-[(5,6-Dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-(4-nitrophenyl)ethanol
CID 16278296
N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 23631944
4-[2-[(5-Methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 23632056
(E)-4-(dimethylamino)-1-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one
CID 46184985
1-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one
CID 46212905
(2S)-2-phenyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)ethanol
CID 49788361

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol (CID 4796330) is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol is Cc1sc2ncnc(NCC(O)c3ccccc3)c2c1C.
What is the InChIKey of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol?
The InChIKey is ZIBBSTQQBNDHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10-11(2)21-16-14(10)15(18-9-19-16)17-8-13(20)12-6-4-3-5-7-12/h3-7,9,13,20H,8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol?
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-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 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol is sourced from PubChem (CID 4796330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).