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

C9H9ClN2OS — CID 138610142

IUPAC1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-1-ol
SMILESCCC(O)c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C9H9ClN2OS/c1-2-6(13)7-3-5-8(14-7)9(10)12-4-11-5/h3-4,6,13H,2H2,1H3
InChIKeyAQLXZSMPVUZDOP-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.79
Rot. Bonds2

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

1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-1-ol (PubChem CID 138610142) has the molecular formula C9H9ClN2OS and a molecular weight of 228.70 g/mol. Its IUPAC name is 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-1-ol
PubChem CID138610142
Molecular FormulaC9H9ClN2OS
Molecular Weight228.70 g/mol
Exact Mass228.01
IUPAC Name1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-1-ol
SMILESCCC(O)c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C9H9ClN2OS/c1-2-6(13)7-3-5-8(14-7)9(10)12-4-11-5/h3-4,6,13H,2H2,1H3
InChIKeyAQLXZSMPVUZDOP-UHFFFAOYSA-N
XLogP2.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.79
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)propan-1-ol?
The IUPAC name of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-1-ol (CID 138610142) is 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-1-ol.
What is the SMILES notation for 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-1-ol?
The canonical SMILES for 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-1-ol is CCC(O)c1cc2ncnc(Cl)c2s1.
What is the InChIKey of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-1-ol?
The InChIKey is AQLXZSMPVUZDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS/c1-2-6(13)7-3-5-8(14-7)9(10)12-4-11-5/h3-4,6,13H,2H2,1H3.
What are the key properties of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-1-ol?
1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)propan-1-ol has a molecular weight of 228.70 g/mol, XLogP of 2.79, 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)propan-1-ol is sourced from PubChem (CID 138610142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).