4-(2-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine

C11H13N3OS2 — CID 1481012

IUPAC4-(2-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine
SMILESCSc1nc(N2CCOCC2)c2sccc2n1
InChIInChI=1S/C11H13N3OS2/c1-16-11-12-8-2-7-17-9(8)10(13-11)14-3-5-15-6-4-14/h2,7H,3-6H2,1H3
InChIKeyZKBCQBSOBYLQKT-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.25
Rot. Bonds2

About 4-(2-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine

4-(2-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine (PubChem CID 1481012) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-(2-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine
PubChem CID1481012
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC Name4-(2-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine
SMILESCSc1nc(N2CCOCC2)c2sccc2n1
InChIInChI=1S/C11H13N3OS2/c1-16-11-12-8-2-7-17-9(8)10(13-11)14-3-5-15-6-4-14/h2,7H,3-6H2,1H3
InChIKeyZKBCQBSOBYLQKT-UHFFFAOYSA-N
XLogP2.25
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Morpholinyl)benzothiazole
CID 77901
4-(2-Phenylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 1485383
5-(4-Morpholino-thieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109202
3-[methyl-[2-[methyl-(1-Methylpiperidin-4-Yl)amino]thieno[3,2-D]pyrimidin-4-Yl]amino]propanenitrile
CID 75277375
3-[[2-[3-(Dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
CID 146027019
3-[[2-[(1-Ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
CID 146027022
4-[4-(2-Thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]morpholine
CID 756560
N-methyl-2-(methylsulfanyl)thieno[3,2-d]pyrimidin-4-amine
CID 1481009
N-allyl-2-(allylsulfanyl)thieno[3,2-d]pyrimidin-4-amine
CID 3750330
2-(allylsulfanyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 3765222
2-(allylsulfanyl)-N,N-diethylthieno[3,2-d]pyrimidin-4-amine
CID 3780230
N-allyl-2-(methylsulfanyl)thieno[3,2-d]pyrimidin-4-amine
CID 3825851

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine (CID 1481012) is 4-(2-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine is CSc1nc(N2CCOCC2)c2sccc2n1.
What is the InChIKey of 4-(2-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine?
The InChIKey is ZKBCQBSOBYLQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-16-11-12-8-2-7-17-9(8)10(13-11)14-3-5-15-6-4-14/h2,7H,3-6H2,1H3.
What are the key properties of 4-(2-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine?
4-(2-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine has a molecular weight of 267.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 1481012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).