2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine

C12H14ClN3OS — CID 114273516

IUPAC2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine
SMILESCC1CN(c2ncc3ccsc3n2)CC(CCl)O1
InChIInChI=1S/C12H14ClN3OS/c1-8-6-16(7-10(4-13)17-8)12-14-5-9-2-3-18-11(9)15-12/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyYISSZXGLCIPRMQ-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.52
Rot. Bonds2

About 2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine

2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine (PubChem CID 114273516) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine
PubChem CID114273516
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine
SMILESCC1CN(c2ncc3ccsc3n2)CC(CCl)O1
InChIInChI=1S/C12H14ClN3OS/c1-8-6-16(7-10(4-13)17-8)12-14-5-9-2-3-18-11(9)15-12/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyYISSZXGLCIPRMQ-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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Related Compounds

2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine
CID 102937003
2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine
CID 114273514
(2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine
CID 124761431
2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine
CID 102937027
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde
CID 102933302
4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine
CID 102937046
2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine
CID 102937094
2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine
CID 102937159
(4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine
CID 114273407
4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine
CID 66758410
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine
CID 104959418
4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine
CID 103584209

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine?
The IUPAC name of 2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine (CID 114273516) is 2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine is CC1CN(c2ncc3ccsc3n2)CC(CCl)O1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine?
The InChIKey is YISSZXGLCIPRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-8-6-16(7-10(4-13)17-8)12-14-5-9-2-3-18-11(9)15-12/h2-3,5,8,10H,4,6-7H2,1H3.
What are the key properties of 2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine?
2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-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)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine is sourced from PubChem (CID 114273516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).