2-benzyl-3-(5-chlorothieno[2,3-d]pyrimidin-4-yl)propan-1-ol

C16H15ClN2OS — CID 58629011

IUPAC2-benzyl-3-(5-chlorothieno[2,3-d]pyrimidin-4-yl)propan-1-ol
SMILESOCC(Cc1ccccc1)Cc1ncnc2scc(Cl)c12
InChIInChI=1S/C16H15ClN2OS/c17-13-9-21-16-15(13)14(18-10-19-16)7-12(8-20)6-11-4-2-1-3-5-11/h1-5,9-10,12,20H,6-8H2
InChIKeyHJWGAOXUWHEOKR-UHFFFAOYSA-N
MW318.83 g/mol
LogP3.74
Rot. Bonds5

About 2-benzyl-3-(5-chlorothieno[2,3-d]pyrimidin-4-yl)propan-1-ol

2-benzyl-3-(5-chlorothieno[2,3-d]pyrimidin-4-yl)propan-1-ol (PubChem CID 58629011) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-benzyl-3-(5-chlorothieno[2,3-d]pyrimidin-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-benzyl-3-(5-chlorothieno[2,3-d]pyrimidin-4-yl)propan-1-ol
PubChem CID58629011
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name2-benzyl-3-(5-chlorothieno[2,3-d]pyrimidin-4-yl)propan-1-ol
SMILESOCC(Cc1ccccc1)Cc1ncnc2scc(Cl)c12
InChIInChI=1S/C16H15ClN2OS/c17-13-9-21-16-15(13)14(18-10-19-16)7-12(8-20)6-11-4-2-1-3-5-11/h1-5,9-10,12,20H,6-8H2
InChIKeyHJWGAOXUWHEOKR-UHFFFAOYSA-N
XLogP3.74
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-5-(4-chlorophenyl)thieno(2,3-d)pyrimidine
CID 708755
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
4-Chloro-5-(4-methylphenyl)thieno(2,3-d)pyrimidine
CID 708732
3-[[5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 1610886
3-((5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4-yl)thio)propanoic acid
CID 3682432
{[5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid
CID 724906
2-{[5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}butanoic acid
CID 3371778
5-(4-chlorophenyl)-N-methoxy-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 9107022
(2R)-2-(4-chlorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol
CID 97158832
4-[5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]butan-1-ol
CID 11551213
2-[4-(3-Chloro-4-fluoroanilino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]ethanol
CID 17990024
3-[5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol
CID 32357017

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(5-chlorothieno[2,3-d]pyrimidin-4-yl)propan-1-ol?
The IUPAC name of 2-benzyl-3-(5-chlorothieno[2,3-d]pyrimidin-4-yl)propan-1-ol (CID 58629011) is 2-benzyl-3-(5-chlorothieno[2,3-d]pyrimidin-4-yl)propan-1-ol.
What is the SMILES notation for 2-benzyl-3-(5-chlorothieno[2,3-d]pyrimidin-4-yl)propan-1-ol?
The canonical SMILES for 2-benzyl-3-(5-chlorothieno[2,3-d]pyrimidin-4-yl)propan-1-ol is OCC(Cc1ccccc1)Cc1ncnc2scc(Cl)c12.
What is the InChIKey of 2-benzyl-3-(5-chlorothieno[2,3-d]pyrimidin-4-yl)propan-1-ol?
The InChIKey is HJWGAOXUWHEOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c17-13-9-21-16-15(13)14(18-10-19-16)7-12(8-20)6-11-4-2-1-3-5-11/h1-5,9-10,12,20H,6-8H2.
What are the key properties of 2-benzyl-3-(5-chlorothieno[2,3-d]pyrimidin-4-yl)propan-1-ol?
2-benzyl-3-(5-chlorothieno[2,3-d]pyrimidin-4-yl)propan-1-ol has a molecular weight of 318.83 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(5-chlorothieno[2,3-d]pyrimidin-4-yl)propan-1-ol is sourced from PubChem (CID 58629011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).