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

C12H14BrN3OS — CID 114273514

IUPAC2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine
SMILESCC1COC(CBr)CN1c1ncc2ccsc2n1
InChIInChI=1S/C12H14BrN3OS/c1-8-7-17-10(4-13)6-16(8)12-14-5-9-2-3-18-11(9)15-12/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyIYKJLSOGVLQORX-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.68
Rot. Bonds2

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

2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine (PubChem CID 114273514) has the molecular formula C12H14BrN3OS and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine
PubChem CID114273514
Molecular FormulaC12H14BrN3OS
Molecular Weight328.24 g/mol
Exact Mass327.00
IUPAC Name2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine
SMILESCC1COC(CBr)CN1c1ncc2ccsc2n1
InChIInChI=1S/C12H14BrN3OS/c1-8-7-17-10(4-13)6-16(8)12-14-5-9-2-3-18-11(9)15-12/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyIYKJLSOGVLQORX-UHFFFAOYSA-N
XLogP2.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.68
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-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine
CID 81210210
2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine
CID 112639426
(5-methyl-4-quinazolin-2-ylmorpholin-2-yl)methanol
CID 114789622
2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine
CID 114273516
2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine
CID 81210918
(3-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-2-yl)methanamine
CID 114273481
2-(bromomethyl)-5-methyl-4-(quinolin-8-ylmethyl)morpholine
CID 81210741
2-(chloromethyl)-5-methyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine
CID 81209864
3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one
CID 81210569
2-(bromomethyl)-4-[(3-chloro-4-pyridinyl)methyl]-5-methylmorpholine
CID 81209707
2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine
CID 81209530
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide
CID 107550636

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine?
The IUPAC name of 2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine (CID 114273514) is 2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine?
The canonical SMILES for 2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine is CC1COC(CBr)CN1c1ncc2ccsc2n1.
What is the InChIKey of 2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine?
The InChIKey is IYKJLSOGVLQORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3OS/c1-8-7-17-10(4-13)6-16(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-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine?
2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine has a molecular weight of 328.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine is sourced from PubChem (CID 114273514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).