2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-9-methylsulfanylpyrazino[1,2-a]pyrimidin-4-one

C17H20N6O2S — CID 177151927

IUPAC2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-9-methylsulfanylpyrazino[1,2-a]pyrimidin-4-one
SMILESCSc1nc(N2CCOC(c3cnn(C)c3)C2)cn2c(=O)cc(C)nc12
InChIInChI=1S/C17H20N6O2S/c1-11-6-15(24)23-10-14(20-17(26-3)16(23)19-11)22-4-5-25-13(9-22)12-7-18-21(2)8-12/h6-8,10,13H,4-5,9H2,1-3H3
InChIKeyVFTSGVRKBVZNDV-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.43
Rot. Bonds3

About 2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-9-methylsulfanylpyrazino[1,2-a]pyrimidin-4-one

2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-9-methylsulfanylpyrazino[1,2-a]pyrimidin-4-one (PubChem CID 177151927) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-9-methylsulfanylpyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-9-methylsulfanylpyrazino[1,2-a]pyrimidin-4-one
PubChem CID177151927
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-9-methylsulfanylpyrazino[1,2-a]pyrimidin-4-one
SMILESCSc1nc(N2CCOC(c3cnn(C)c3)C2)cn2c(=O)cc(C)nc12
InChIInChI=1S/C17H20N6O2S/c1-11-6-15(24)23-10-14(20-17(26-3)16(23)19-11)22-4-5-25-13(9-22)12-7-18-21(2)8-12/h6-8,10,13H,4-5,9H2,1-3H3
InChIKeyVFTSGVRKBVZNDV-UHFFFAOYSA-N
XLogP1.43
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-9-methylsulfanylpyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-9-methylsulfanylpyrazino[1,2-a]pyrimidin-4-one (CID 177151927) is 2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-9-methylsulfanylpyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-9-methylsulfanylpyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-9-methylsulfanylpyrazino[1,2-a]pyrimidin-4-one is CSc1nc(N2CCOC(c3cnn(C)c3)C2)cn2c(=O)cc(C)nc12.
What is the InChIKey of 2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-9-methylsulfanylpyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is VFTSGVRKBVZNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-11-6-15(24)23-10-14(20-17(26-3)16(23)19-11)22-4-5-25-13(9-22)12-7-18-21(2)8-12/h6-8,10,13H,4-5,9H2,1-3H3.
What are the key properties of 2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-9-methylsulfanylpyrazino[1,2-a]pyrimidin-4-one?
2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-9-methylsulfanylpyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 372.45 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-9-methylsulfanylpyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 177151927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).