4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine

C11H16N4S — CID 117100843

IUPAC4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine
SMILESc1nc(N2CCSCC2)nc2c1CCNC2
InChIInChI=1S/C11H16N4S/c1-2-12-8-10-9(1)7-13-11(14-10)15-3-5-16-6-4-15/h7,12H,1-6,8H2
InChIKeyOMTITMIARQYCPU-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.68
Rot. Bonds1

About 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine

4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine (PubChem CID 117100843) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine
PubChem CID117100843
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine
SMILESc1nc(N2CCSCC2)nc2c1CCNC2
InChIInChI=1S/C11H16N4S/c1-2-12-8-10-9(1)7-13-11(14-10)15-3-5-16-6-4-15/h7,12H,1-6,8H2
InChIKeyOMTITMIARQYCPU-UHFFFAOYSA-N
XLogP0.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine?
The IUPAC name of 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine (CID 117100843) is 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine.
What is the SMILES notation for 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine?
The canonical SMILES for 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine is c1nc(N2CCSCC2)nc2c1CCNC2.
What is the InChIKey of 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine?
The InChIKey is OMTITMIARQYCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-2-12-8-10-9(1)7-13-11(14-10)15-3-5-16-6-4-15/h7,12H,1-6,8H2.
What are the key properties of 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine?
4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine has a molecular weight of 236.34 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine is sourced from PubChem (CID 117100843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).