2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine

C12H14ClN3OS — CID 81209864

IUPAC2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine
SMILESCC1COC(CCl)CN1c1ncnc2ccsc12
InChIInChI=1S/C12H14ClN3OS/c1-8-6-17-9(4-13)5-16(8)12-11-10(2-3-18-11)14-7-15-12/h2-3,7-9H,4-6H2,1H3
InChIKeyMALXVSQEEVZYIG-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.52
Rot. Bonds2

About 2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine

2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine (PubChem CID 81209864) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine
PubChem CID81209864
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine
SMILESCC1COC(CCl)CN1c1ncnc2ccsc12
InChIInChI=1S/C12H14ClN3OS/c1-8-6-17-9(4-13)5-16(8)12-11-10(2-3-18-11)14-7-15-12/h2-3,7-9H,4-6H2,1H3
InChIKeyMALXVSQEEVZYIG-UHFFFAOYSA-N
XLogP2.52
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine?
The IUPAC name of 2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine (CID 81209864) is 2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine is CC1COC(CCl)CN1c1ncnc2ccsc12.
What is the InChIKey of 2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine?
The InChIKey is MALXVSQEEVZYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-8-6-17-9(4-13)5-16(8)12-11-10(2-3-18-11)14-7-15-12/h2-3,7-9H,4-6H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine?
2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine has a molecular weight of 283.78 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine is sourced from PubChem (CID 81209864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).