(4-chlorophenyl)-(5-methylthieno[2,3-d]pyrimidin-4-yl)methanol

C14H11ClN2OS — CID 70909626

IUPAC(4-chlorophenyl)-(5-methylthieno[2,3-d]pyrimidin-4-yl)methanol
SMILESCc1csc2ncnc(C(O)c3ccc(Cl)cc3)c12
InChIInChI=1S/C14H11ClN2OS/c1-8-6-19-14-11(8)12(16-7-17-14)13(18)9-2-4-10(15)5-3-9/h2-7,13,18H,1H3
InChIKeyXTJZTURFBZCWMR-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.73
Rot. Bonds2

About (4-chlorophenyl)-(5-methylthieno[2,3-d]pyrimidin-4-yl)methanol

(4-chlorophenyl)-(5-methylthieno[2,3-d]pyrimidin-4-yl)methanol (PubChem CID 70909626) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-methylthieno[2,3-d]pyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-methylthieno[2,3-d]pyrimidin-4-yl)methanol
PubChem CID70909626
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name(4-chlorophenyl)-(5-methylthieno[2,3-d]pyrimidin-4-yl)methanol
SMILESCc1csc2ncnc(C(O)c3ccc(Cl)cc3)c12
InChIInChI=1S/C14H11ClN2OS/c1-8-6-19-14-11(8)12(16-7-17-14)13(18)9-2-4-10(15)5-3-9/h2-7,13,18H,1H3
InChIKeyXTJZTURFBZCWMR-UHFFFAOYSA-N
XLogP3.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Chlorophenyl)-pyrimidin-5-yl-(1,3-thiazol-4-yl)methanol
CID 56658661
(3-Thieno[2,3-d]pyrimidin-4-ylphenyl)methanol
CID 39826535
(2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol
CID 97158832
(1R)-1-(4-chloro-3-fluorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol
CID 99776529
(4-Chlorothieno[2,3-d]pyrimidin-6-yl)-(2,6-difluorophenyl)methanol
CID 88119554
(1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol
CID 32518919
(1S)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol
CID 32518922
1-(4-Fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol
CID 75402490
1-(3-Fluorophenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanol
CID 87012783
1-(4-Chloro-3-fluorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol
CID 91646549
(1S)-1-(4-chloro-3-fluorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol
CID 99776528
1-(4-Chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 133430923

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-methylthieno[2,3-d]pyrimidin-4-yl)methanol?
The IUPAC name of (4-chlorophenyl)-(5-methylthieno[2,3-d]pyrimidin-4-yl)methanol (CID 70909626) is (4-chlorophenyl)-(5-methylthieno[2,3-d]pyrimidin-4-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(5-methylthieno[2,3-d]pyrimidin-4-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-(5-methylthieno[2,3-d]pyrimidin-4-yl)methanol is Cc1csc2ncnc(C(O)c3ccc(Cl)cc3)c12.
What is the InChIKey of (4-chlorophenyl)-(5-methylthieno[2,3-d]pyrimidin-4-yl)methanol?
The InChIKey is XTJZTURFBZCWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-8-6-19-14-11(8)12(16-7-17-14)13(18)9-2-4-10(15)5-3-9/h2-7,13,18H,1H3.
What are the key properties of (4-chlorophenyl)-(5-methylthieno[2,3-d]pyrimidin-4-yl)methanol?
(4-chlorophenyl)-(5-methylthieno[2,3-d]pyrimidin-4-yl)methanol has a molecular weight of 290.78 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-methylthieno[2,3-d]pyrimidin-4-yl)methanol is sourced from PubChem (CID 70909626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).