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

C11H18N4O2S — CID 58320423

IUPACN,N-dimethyl-2-methylsulfinyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCN(C)c1cc(N2CCOCC2)nc(S(C)=O)n1
InChIInChI=1S/C11H18N4O2S/c1-14(2)9-8-10(13-11(12-9)18(3)16)15-4-6-17-7-5-15/h8H,4-7H2,1-3H3
InChIKeySIWYYZQINBQWOA-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.12
Rot. Bonds3

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

N,N-dimethyl-2-methylsulfinyl-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 58320423) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N,N-dimethyl-2-methylsulfinyl-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-methylsulfinyl-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID58320423
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN,N-dimethyl-2-methylsulfinyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCN(C)c1cc(N2CCOCC2)nc(S(C)=O)n1
InChIInChI=1S/C11H18N4O2S/c1-14(2)9-8-10(13-11(12-9)18(3)16)15-4-6-17-7-5-15/h8H,4-7H2,1-3H3
InChIKeySIWYYZQINBQWOA-UHFFFAOYSA-N
XLogP0.12
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.12
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-methylsulfinyl-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-methylsulfinyl-6-morpholin-4-ylpyrimidin-4-amine (CID 58320423) is N,N-dimethyl-2-methylsulfinyl-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-methylsulfinyl-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-methylsulfinyl-6-morpholin-4-ylpyrimidin-4-amine is CN(C)c1cc(N2CCOCC2)nc(S(C)=O)n1.
What is the InChIKey of N,N-dimethyl-2-methylsulfinyl-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is SIWYYZQINBQWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-14(2)9-8-10(13-11(12-9)18(3)16)15-4-6-17-7-5-15/h8H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-methylsulfinyl-6-morpholin-4-ylpyrimidin-4-amine?
N,N-dimethyl-2-methylsulfinyl-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 270.36 g/mol, XLogP of 0.12, 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-methylsulfinyl-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 58320423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).