4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine

C13H16ClN3OS — CID 103320672

IUPAC4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine
SMILESCCC1CN(c2nc(Cl)nc3sc(C)cc23)CCO1
InChIInChI=1S/C13H16ClN3OS/c1-3-9-7-17(4-5-18-9)11-10-6-8(2)19-12(10)16-13(14)15-11/h6,9H,3-5,7H2,1-2H3
InChIKeyUSWIRDMIXIGUMK-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.27
Rot. Bonds2

About 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine

4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine (PubChem CID 103320672) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine.

Molecular Properties

Compound Name4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine
PubChem CID103320672
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine
SMILESCCC1CN(c2nc(Cl)nc3sc(C)cc23)CCO1
InChIInChI=1S/C13H16ClN3OS/c1-3-9-7-17(4-5-18-9)11-10-6-8(2)19-12(10)16-13(14)15-11/h6,9H,3-5,7H2,1-2H3
InChIKeyUSWIRDMIXIGUMK-UHFFFAOYSA-N
XLogP3.27
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethylmorpholin-4-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103325054
2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103322044
4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 130547955
2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321138
1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 103321991
4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine
CID 80628940
2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321928
4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine
CID 62482337
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine
CID 107080311
4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine
CID 62141546
4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103322436
1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 103321619

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine?
The IUPAC name of 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine (CID 103320672) is 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine.
What is the SMILES notation for 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine?
The canonical SMILES for 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine is CCC1CN(c2nc(Cl)nc3sc(C)cc23)CCO1.
What is the InChIKey of 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine?
The InChIKey is USWIRDMIXIGUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-3-9-7-17(4-5-18-9)11-10-6-8(2)19-12(10)16-13(14)15-11/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine?
4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine has a molecular weight of 297.81 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine is sourced from PubChem (CID 103320672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).