5,6-dimethyl-2-[1-(2-methylmorpholin-4-yl)ethyl]-4aH-thieno[2,3-d]pyrimidin-4-one

C15H21N3O2S — CID 75624305

IUPAC5,6-dimethyl-2-[1-(2-methylmorpholin-4-yl)ethyl]-4aH-thieno[2,3-d]pyrimidin-4-one
SMILESCC1=C(C)C2C(=O)N=C(C(C)N3CCOC(C)C3)N=C2S1
InChIInChI=1S/C15H21N3O2S/c1-8-7-18(5-6-20-8)10(3)13-16-14(19)12-9(2)11(4)21-15(12)17-13/h8,10,12H,5-7H2,1-4H3
InChIKeyYQZFQKXVLFIFCO-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.09
Rot. Bonds2

About 5,6-dimethyl-2-[1-(2-methylmorpholin-4-yl)ethyl]-4aH-thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-2-[1-(2-methylmorpholin-4-yl)ethyl]-4aH-thieno[2,3-d]pyrimidin-4-one (PubChem CID 75624305) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5,6-dimethyl-2-[1-(2-methylmorpholin-4-yl)ethyl]-4aH-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[1-(2-methylmorpholin-4-yl)ethyl]-4aH-thieno[2,3-d]pyrimidin-4-one
PubChem CID75624305
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5,6-dimethyl-2-[1-(2-methylmorpholin-4-yl)ethyl]-4aH-thieno[2,3-d]pyrimidin-4-one
SMILESCC1=C(C)C2C(=O)N=C(C(C)N3CCOC(C)C3)N=C2S1
InChIInChI=1S/C15H21N3O2S/c1-8-7-18(5-6-20-8)10(3)13-16-14(19)12-9(2)11(4)21-15(12)17-13/h8,10,12H,5-7H2,1-4H3
InChIKeyYQZFQKXVLFIFCO-UHFFFAOYSA-N
XLogP2.09
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[1-(2-methylmorpholin-4-yl)ethyl]-4aH-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-2-[1-(2-methylmorpholin-4-yl)ethyl]-4aH-thieno[2,3-d]pyrimidin-4-one (CID 75624305) is 5,6-dimethyl-2-[1-(2-methylmorpholin-4-yl)ethyl]-4aH-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-[1-(2-methylmorpholin-4-yl)ethyl]-4aH-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-2-[1-(2-methylmorpholin-4-yl)ethyl]-4aH-thieno[2,3-d]pyrimidin-4-one is CC1=C(C)C2C(=O)N=C(C(C)N3CCOC(C)C3)N=C2S1.
What is the InChIKey of 5,6-dimethyl-2-[1-(2-methylmorpholin-4-yl)ethyl]-4aH-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is YQZFQKXVLFIFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-8-7-18(5-6-20-8)10(3)13-16-14(19)12-9(2)11(4)21-15(12)17-13/h8,10,12H,5-7H2,1-4H3.
What are the key properties of 5,6-dimethyl-2-[1-(2-methylmorpholin-4-yl)ethyl]-4aH-thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-2-[1-(2-methylmorpholin-4-yl)ethyl]-4aH-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 307.42 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[1-(2-methylmorpholin-4-yl)ethyl]-4aH-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 75624305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).