2-methyl-4-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile

C11H14N4OS — CID 139881638

IUPAC2-methyl-4-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(C)nc(N2CCOCC2)c1C#N
InChIInChI=1S/C11H14N4OS/c1-8-13-10(15-3-5-16-6-4-15)9(7-12)11(14-8)17-2/h3-6H2,1-2H3
InChIKeyCSUSOVCFXVOPES-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.22
Rot. Bonds2

About 2-methyl-4-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile

2-methyl-4-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile (PubChem CID 139881638) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-methyl-4-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile
PubChem CID139881638
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-methyl-4-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile
SMILESCSc1nc(C)nc(N2CCOCC2)c1C#N
InChIInChI=1S/C11H14N4OS/c1-8-13-10(15-3-5-16-6-4-15)9(7-12)11(14-8)17-2/h3-6H2,1-2H3
InChIKeyCSUSOVCFXVOPES-UHFFFAOYSA-N
XLogP1.22
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile?
The IUPAC name of 2-methyl-4-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile (CID 139881638) is 2-methyl-4-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-methyl-4-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-methyl-4-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile is CSc1nc(C)nc(N2CCOCC2)c1C#N.
What is the InChIKey of 2-methyl-4-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile?
The InChIKey is CSUSOVCFXVOPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8-13-10(15-3-5-16-6-4-15)9(7-12)11(14-8)17-2/h3-6H2,1-2H3.
What are the key properties of 2-methyl-4-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile?
2-methyl-4-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile has a molecular weight of 250.33 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 139881638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).