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

C12H18N4S — CID 106446214

IUPAC4-methyl-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)thiomorpholine
SMILESCN1CCSCC1c1ncc2c(n1)CCNC2
InChIInChI=1S/C12H18N4S/c1-16-4-5-17-8-11(16)12-14-7-9-6-13-3-2-10(9)15-12/h7,11,13H,2-6,8H2,1H3
InChIKeyQHLQSSIJRHQWRV-UHFFFAOYSA-N
MW250.37 g/mol
LogP0.84
Rot. Bonds1

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

4-methyl-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)thiomorpholine (PubChem CID 106446214) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-methyl-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)thiomorpholine.

Molecular Properties

Compound Name4-methyl-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)thiomorpholine
PubChem CID106446214
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name4-methyl-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)thiomorpholine
SMILESCN1CCSCC1c1ncc2c(n1)CCNC2
InChIInChI=1S/C12H18N4S/c1-16-4-5-17-8-11(16)12-14-7-9-6-13-3-2-10(9)15-12/h7,11,13H,2-6,8H2,1H3
InChIKeyQHLQSSIJRHQWRV-UHFFFAOYSA-N
XLogP0.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)thiomorpholine?
The IUPAC name of 4-methyl-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)thiomorpholine (CID 106446214) is 4-methyl-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)thiomorpholine.
What is the SMILES notation for 4-methyl-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)thiomorpholine?
The canonical SMILES for 4-methyl-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)thiomorpholine is CN1CCSCC1c1ncc2c(n1)CCNC2.
What is the InChIKey of 4-methyl-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)thiomorpholine?
The InChIKey is QHLQSSIJRHQWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-16-4-5-17-8-11(16)12-14-7-9-6-13-3-2-10(9)15-12/h7,11,13H,2-6,8H2,1H3.
What are the key properties of 4-methyl-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)thiomorpholine?
4-methyl-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)thiomorpholine has a molecular weight of 250.37 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)thiomorpholine is sourced from PubChem (CID 106446214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).