(4-chlorothieno[3,2-d]pyrimidin-7-yl)methanol

C7H5ClN2OS — CID 86674138

IUPAC(4-chlorothieno[3,2-d]pyrimidin-7-yl)methanol
SMILESOCc1csc2c(Cl)ncnc12
InChIInChI=1S/C7H5ClN2OS/c8-7-6-5(9-3-10-7)4(1-11)2-12-6/h2-3,11H,1H2
InChIKeyOPXCKWHOLOWBBT-UHFFFAOYSA-N
MW200.65 g/mol
LogP1.84
Rot. Bonds1

About (4-chlorothieno[3,2-d]pyrimidin-7-yl)methanol

(4-chlorothieno[3,2-d]pyrimidin-7-yl)methanol (PubChem CID 86674138) has the molecular formula C7H5ClN2OS and a molecular weight of 200.65 g/mol. Its IUPAC name is (4-chlorothieno[3,2-d]pyrimidin-7-yl)methanol.

Molecular Properties

Compound Name(4-chlorothieno[3,2-d]pyrimidin-7-yl)methanol
PubChem CID86674138
Molecular FormulaC7H5ClN2OS
Molecular Weight200.65 g/mol
Exact Mass199.98
IUPAC Name(4-chlorothieno[3,2-d]pyrimidin-7-yl)methanol
SMILESOCc1csc2c(Cl)ncnc12
InChIInChI=1S/C7H5ClN2OS/c8-7-6-5(9-3-10-7)4(1-11)2-12-6/h2-3,11H,1H2
InChIKeyOPXCKWHOLOWBBT-UHFFFAOYSA-N
XLogP1.84
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.65
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorothieno[3,2-d]pyrimidin-7-yl)methanol?
The IUPAC name of (4-chlorothieno[3,2-d]pyrimidin-7-yl)methanol (CID 86674138) is (4-chlorothieno[3,2-d]pyrimidin-7-yl)methanol.
What is the SMILES notation for (4-chlorothieno[3,2-d]pyrimidin-7-yl)methanol?
The canonical SMILES for (4-chlorothieno[3,2-d]pyrimidin-7-yl)methanol is OCc1csc2c(Cl)ncnc12.
What is the InChIKey of (4-chlorothieno[3,2-d]pyrimidin-7-yl)methanol?
The InChIKey is OPXCKWHOLOWBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2OS/c8-7-6-5(9-3-10-7)4(1-11)2-12-6/h2-3,11H,1H2.
What are the key properties of (4-chlorothieno[3,2-d]pyrimidin-7-yl)methanol?
(4-chlorothieno[3,2-d]pyrimidin-7-yl)methanol has a molecular weight of 200.65 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorothieno[3,2-d]pyrimidin-7-yl)methanol is sourced from PubChem (CID 86674138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).