4-[4-[(1S)-1-methoxyethyl]phenyl]-6-methylthieno[2,3-d]pyrimidine

C16H16N2OS — CID 164630488

IUPAC4-[4-[(1S)-1-methoxyethyl]phenyl]-6-methylthieno[2,3-d]pyrimidine
SMILESCO[C@@H](C)c1ccc(-c2ncnc3sc(C)cc23)cc1
InChIInChI=1S/C16H16N2OS/c1-10-8-14-15(17-9-18-16(14)20-10)13-6-4-12(5-7-13)11(2)19-3/h4-9,11H,1-3H3/t11-/m0/s1
InChIKeyDOGHPKSSUPRTLZ-NSHDSACASA-N
MW284.38 g/mol
LogP4.37
Rot. Bonds3

About 4-[4-[(1S)-1-methoxyethyl]phenyl]-6-methylthieno[2,3-d]pyrimidine

4-[4-[(1S)-1-methoxyethyl]phenyl]-6-methylthieno[2,3-d]pyrimidine (PubChem CID 164630488) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[4-[(1S)-1-methoxyethyl]phenyl]-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(1S)-1-methoxyethyl]phenyl]-6-methylthieno[2,3-d]pyrimidine
PubChem CID164630488
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name4-[4-[(1S)-1-methoxyethyl]phenyl]-6-methylthieno[2,3-d]pyrimidine
SMILESCO[C@@H](C)c1ccc(-c2ncnc3sc(C)cc23)cc1
InChIInChI=1S/C16H16N2OS/c1-10-8-14-15(17-9-18-16(14)20-10)13-6-4-12(5-7-13)11(2)19-3/h4-9,11H,1-3H3/t11-/m0/s1
InChIKeyDOGHPKSSUPRTLZ-NSHDSACASA-N
XLogP4.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-6-phenylthieno[2,3-d]pyrimidine
CID 1039883
[4-(4-Anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol
CID 127024859
[4-[4-(Benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol
CID 127027073
[3-fluoro-4-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol
CID 127027086
4-(4-Methoxyphenyl)thieno[2,3-d]pyrimidine
CID 44196044
5-Phenyl-4-(3-phenylmethoxypyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 89579832
4-(4-Methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 44196045
12-Hydroxy-2-(4-methylphenyl)-13-oxa-3-thia-5,7-diaza-12lambda5-phosphatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraene 12-oxide
CID 137635267
5-Thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 155553171
Phenyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol
CID 24620995
4-(4-Methylphenyl)thieno[2,3-d]pyrimidine
CID 102577469
(3-Thieno[2,3-d]pyrimidin-4-ylphenyl)methanol
CID 39826535

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1S)-1-methoxyethyl]phenyl]-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[(1S)-1-methoxyethyl]phenyl]-6-methylthieno[2,3-d]pyrimidine (CID 164630488) is 4-[4-[(1S)-1-methoxyethyl]phenyl]-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[(1S)-1-methoxyethyl]phenyl]-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[(1S)-1-methoxyethyl]phenyl]-6-methylthieno[2,3-d]pyrimidine is CO[C@@H](C)c1ccc(-c2ncnc3sc(C)cc23)cc1.
What is the InChIKey of 4-[4-[(1S)-1-methoxyethyl]phenyl]-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is DOGHPKSSUPRTLZ-NSHDSACASA-N. The full InChI is InChI=1S/C16H16N2OS/c1-10-8-14-15(17-9-18-16(14)20-10)13-6-4-12(5-7-13)11(2)19-3/h4-9,11H,1-3H3/t11-/m0/s1.
What are the key properties of 4-[4-[(1S)-1-methoxyethyl]phenyl]-6-methylthieno[2,3-d]pyrimidine?
4-[4-[(1S)-1-methoxyethyl]phenyl]-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 284.38 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1S)-1-methoxyethyl]phenyl]-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 164630488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).