4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine

C14H17N3OS — CID 722483

IUPAC4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine
SMILESc1nc(N2CCOCC2)c2c3c(sc2n1)CCCC3
InChIInChI=1S/C14H17N3OS/c1-2-4-11-10(3-1)12-13(15-9-16-14(12)19-11)17-5-7-18-8-6-17/h9H,1-8H2
InChIKeyYZMBSTGTZZZUEY-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.41
Rot. Bonds1

About 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine

4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine (PubChem CID 722483) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine
PubChem CID722483
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine
SMILESc1nc(N2CCOCC2)c2c3c(sc2n1)CCCC3
InChIInChI=1S/C14H17N3OS/c1-2-4-11-10(3-1)12-13(15-9-16-14(12)19-11)17-5-7-18-8-6-17/h9H,1-8H2
InChIKeyYZMBSTGTZZZUEY-UHFFFAOYSA-N
XLogP2.41
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine (CID 722483) is 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine is c1nc(N2CCOCC2)c2c3c(sc2n1)CCCC3.
What is the InChIKey of 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is YZMBSTGTZZZUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-4-11-10(3-1)12-13(15-9-16-14(12)19-11)17-5-7-18-8-6-17/h9H,1-8H2.
What are the key properties of 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine?
4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 275.38 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 722483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).