1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2-methylpropan-1-ol

C10H11ClN2OS — CID 59424561

IUPAC1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C10H11ClN2OS/c1-5(2)8(14)7-3-6-9(15-7)10(11)13-4-12-6/h3-5,8,14H,1-2H3
InChIKeyPEDASNJZZKMMRY-UHFFFAOYSA-N
MW242.73 g/mol
LogP3.03
Rot. Bonds2

About 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2-methylpropan-1-ol

1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2-methylpropan-1-ol (PubChem CID 59424561) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2-methylpropan-1-ol
PubChem CID59424561
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C10H11ClN2OS/c1-5(2)8(14)7-3-6-9(15-7)10(11)13-4-12-6/h3-5,8,14H,1-2H3
InChIKeyPEDASNJZZKMMRY-UHFFFAOYSA-N
XLogP3.03
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2-methylpropan-1-ol (CID 59424561) is 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2-methylpropan-1-ol is CC(C)C(O)c1cc2ncnc(Cl)c2s1.
What is the InChIKey of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2-methylpropan-1-ol?
The InChIKey is PEDASNJZZKMMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-5(2)8(14)7-3-6-9(15-7)10(11)13-4-12-6/h3-5,8,14H,1-2H3.
What are the key properties of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2-methylpropan-1-ol?
1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2-methylpropan-1-ol has a molecular weight of 242.73 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 59424561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).