N-ethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine

C11H18N4OS — CID 1488170

IUPACN-ethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCCNc1cc(N2CCOCC2)nc(SC)n1
InChIInChI=1S/C11H18N4OS/c1-3-12-9-8-10(14-11(13-9)17-2)15-4-6-16-7-5-15/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyZXSXUUMZGWNWDZ-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.47
Rot. Bonds4

About N-ethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine

N-ethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 1488170) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-ethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID1488170
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-ethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCCNc1cc(N2CCOCC2)nc(SC)n1
InChIInChI=1S/C11H18N4OS/c1-3-12-9-8-10(14-11(13-9)17-2)15-4-6-16-7-5-15/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyZXSXUUMZGWNWDZ-UHFFFAOYSA-N
XLogP1.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine (CID 1488170) is N-ethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine is CCNc1cc(N2CCOCC2)nc(SC)n1.
What is the InChIKey of N-ethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is ZXSXUUMZGWNWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-12-9-8-10(14-11(13-9)17-2)15-4-6-16-7-5-15/h8H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of N-ethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine?
N-ethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 254.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 1488170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).