N,N-dimethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine

C11H18N4OS — CID 58320454

IUPACN,N-dimethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCSc1nc(N(C)C)cc(N2CCOCC2)n1
InChIInChI=1S/C11H18N4OS/c1-14(2)9-8-10(13-11(12-9)17-3)15-4-6-16-7-5-15/h8H,4-7H2,1-3H3
InChIKeyGEVVFMKHLWNHQL-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.10
Rot. Bonds3

About N,N-dimethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine

N,N-dimethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 58320454) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N,N-dimethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID58320454
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN,N-dimethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCSc1nc(N(C)C)cc(N2CCOCC2)n1
InChIInChI=1S/C11H18N4OS/c1-14(2)9-8-10(13-11(12-9)17-3)15-4-6-16-7-5-15/h8H,4-7H2,1-3H3
InChIKeyGEVVFMKHLWNHQL-UHFFFAOYSA-N
XLogP1.10
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine (CID 58320454) is N,N-dimethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine is CSc1nc(N(C)C)cc(N2CCOCC2)n1.
What is the InChIKey of N,N-dimethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is GEVVFMKHLWNHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-14(2)9-8-10(13-11(12-9)17-3)15-4-6-16-7-5-15/h8H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine?
N,N-dimethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 254.36 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 58320454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).