N-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine

C12H20N4S — CID 80836054

IUPACN-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCSCC2C)nc(C)n1
InChIInChI=1S/C12H20N4S/c1-4-13-11-7-12(15-10(3)14-11)16-5-6-17-8-9(16)2/h7,9H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyMIHGUSBAVSHZAF-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.16
Rot. Bonds3

About N-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine

N-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine (PubChem CID 80836054) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
PubChem CID80836054
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCSCC2C)nc(C)n1
InChIInChI=1S/C12H20N4S/c1-4-13-11-7-12(15-10(3)14-11)16-5-6-17-8-9(16)2/h7,9H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyMIHGUSBAVSHZAF-UHFFFAOYSA-N
XLogP2.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine (CID 80836054) is N-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine is CCNc1cc(N2CCSCC2C)nc(C)n1.
What is the InChIKey of N-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine?
The InChIKey is MIHGUSBAVSHZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-4-13-11-7-12(15-10(3)14-11)16-5-6-17-8-9(16)2/h7,9H,4-6,8H2,1-3H3,(H,13,14,15).
What are the key properties of N-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine?
N-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine has a molecular weight of 252.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80836054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).