2-[(6-bromothieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol

C14H12BrN3OS — CID 118734193

IUPAC2-[(6-bromothieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
SMILESOCC(Nc1ncnc2sc(Br)cc12)c1ccccc1
InChIInChI=1S/C14H12BrN3OS/c15-12-6-10-13(16-8-17-14(10)20-12)18-11(7-19)9-4-2-1-3-5-9/h1-6,8,11,19H,7H2,(H,16,17,18)
InChIKeyLDQRYJQKJHOYIO-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.60
Rot. Bonds4

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

2-[(6-bromothieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol (PubChem CID 118734193) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-[(6-bromothieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(6-bromothieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
PubChem CID118734193
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC Name2-[(6-bromothieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
SMILESOCC(Nc1ncnc2sc(Br)cc12)c1ccccc1
InChIInChI=1S/C14H12BrN3OS/c15-12-6-10-13(16-8-17-14(10)20-12)18-11(7-19)9-4-2-1-3-5-9/h1-6,8,11,19H,7H2,(H,16,17,18)
InChIKeyLDQRYJQKJHOYIO-UHFFFAOYSA-N
XLogP3.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-L-phenylalanine
CID 769461
2-[Benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 2453882
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
(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
(2S)-2-[(11-ethenylsulfonyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylethanol
CID 49788364
(E)-4-(diethylamino)-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 49788427
(2S)-2-phenyl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)ethanol
CID 49788561
(2S)-2-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 59322699

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromothieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol?
The IUPAC name of 2-[(6-bromothieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol (CID 118734193) is 2-[(6-bromothieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol.
What is the SMILES notation for 2-[(6-bromothieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol?
The canonical SMILES for 2-[(6-bromothieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol is OCC(Nc1ncnc2sc(Br)cc12)c1ccccc1.
What is the InChIKey of 2-[(6-bromothieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol?
The InChIKey is LDQRYJQKJHOYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3OS/c15-12-6-10-13(16-8-17-14(10)20-12)18-11(7-19)9-4-2-1-3-5-9/h1-6,8,11,19H,7H2,(H,16,17,18).
What are the key properties of 2-[(6-bromothieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol?
2-[(6-bromothieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol has a molecular weight of 350.24 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromothieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol is sourced from PubChem (CID 118734193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).