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

C15H24N4S — CID 106446235

IUPAC4-methyl-3-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine
SMILESCC(C)c1nc(C2CSCCN2C)nc2c1CCNC2
InChIInChI=1S/C15H24N4S/c1-10(2)14-11-4-5-16-8-12(11)17-15(18-14)13-9-20-7-6-19(13)3/h10,13,16H,4-9H2,1-3H3
InChIKeyFXWSHLBFRSPLPA-UHFFFAOYSA-N
MW292.45 g/mol
LogP1.97
Rot. Bonds2

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

4-methyl-3-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine (PubChem CID 106446235) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-methyl-3-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine.

Molecular Properties

Compound Name4-methyl-3-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine
PubChem CID106446235
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name4-methyl-3-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine
SMILESCC(C)c1nc(C2CSCCN2C)nc2c1CCNC2
InChIInChI=1S/C15H24N4S/c1-10(2)14-11-4-5-16-8-12(11)17-15(18-14)13-9-20-7-6-19(13)3/h10,13,16H,4-9H2,1-3H3
InChIKeyFXWSHLBFRSPLPA-UHFFFAOYSA-N
XLogP1.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine?
The IUPAC name of 4-methyl-3-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine (CID 106446235) is 4-methyl-3-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine.
What is the SMILES notation for 4-methyl-3-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine?
The canonical SMILES for 4-methyl-3-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine is CC(C)c1nc(C2CSCCN2C)nc2c1CCNC2.
What is the InChIKey of 4-methyl-3-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine?
The InChIKey is FXWSHLBFRSPLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-10(2)14-11-4-5-16-8-12(11)17-15(18-14)13-9-20-7-6-19(13)3/h10,13,16H,4-9H2,1-3H3.
What are the key properties of 4-methyl-3-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine?
4-methyl-3-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine has a molecular weight of 292.45 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine is sourced from PubChem (CID 106446235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).