[2-methoxy-3-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol

C22H21N3O2S — CID 123810074

IUPAC[2-methoxy-3-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol
SMILESCOc1c(CO)cccc1-c1cc2c(NC(C)c3ccccc3)ncnc2s1
InChIInChI=1S/C22H21N3O2S/c1-14(15-7-4-3-5-8-15)25-21-18-11-19(28-22(18)24-13-23-21)17-10-6-9-16(12-26)20(17)27-2/h3-11,13-14,26H,12H2,1-2H3,(H,23,24,25)
InChIKeySQUQAWDKEWMOOC-UHFFFAOYSA-N
MW391.50 g/mol
LogP5.03
Rot. Bonds6

About [2-methoxy-3-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol

[2-methoxy-3-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol (PubChem CID 123810074) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is [2-methoxy-3-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-3-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol
PubChem CID123810074
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name[2-methoxy-3-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol
SMILESCOc1c(CO)cccc1-c1cc2c(NC(C)c3ccccc3)ncnc2s1
InChIInChI=1S/C22H21N3O2S/c1-14(15-7-4-3-5-8-15)25-21-18-11-19(28-22(18)24-13-23-21)17-10-6-9-16(12-26)20(17)27-2/h3-11,13-14,26H,12H2,1-2H3,(H,23,24,25)
InChIKeySQUQAWDKEWMOOC-UHFFFAOYSA-N
XLogP5.03
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenol
CID 123343043
[3-fluoro-4-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol
CID 127027086
methyl 3,5-dimethoxy-4-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzoate
CID 127024863
6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 127026467
6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 95171151
(2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 176515272
N-[2-(dimethylamino)ethyl]-4-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzamide
CID 127025789
4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-3-methoxybenzamide
CID 127026082
(2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 28849500
N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7831254
N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4783172
1H-indol-2-yl-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 57390124

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-3-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol?
The IUPAC name of [2-methoxy-3-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol (CID 123810074) is [2-methoxy-3-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol.
What is the SMILES notation for [2-methoxy-3-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol?
The canonical SMILES for [2-methoxy-3-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol is COc1c(CO)cccc1-c1cc2c(NC(C)c3ccccc3)ncnc2s1.
What is the InChIKey of [2-methoxy-3-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol?
The InChIKey is SQUQAWDKEWMOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-14(15-7-4-3-5-8-15)25-21-18-11-19(28-22(18)24-13-23-21)17-10-6-9-16(12-26)20(17)27-2/h3-11,13-14,26H,12H2,1-2H3,(H,23,24,25).
What are the key properties of [2-methoxy-3-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol?
[2-methoxy-3-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol has a molecular weight of 391.50 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-3-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol is sourced from PubChem (CID 123810074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).