4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C11H16F3N5S — CID 106327552

IUPAC4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCN2CCSCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5S/c12-11(13,14)8-7-9(18-10(15)17-8)16-1-2-19-3-5-20-6-4-19/h7H,1-6H2,(H3,15,16,17,18)
InChIKeyKTLKMMSNFHHOFY-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.54
Rot. Bonds4

About 4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 106327552) has the molecular formula C11H16F3N5S and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID106327552
Molecular FormulaC11H16F3N5S
Molecular Weight307.35 g/mol
Exact Mass307.11
IUPAC Name4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCN2CCSCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5S/c12-11(13,14)8-7-9(18-10(15)17-8)16-1-2-19-3-5-20-6-4-19/h7H,1-6H2,(H3,15,16,17,18)
InChIKeyKTLKMMSNFHHOFY-UHFFFAOYSA-N
XLogP1.54
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 106327552) is 4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is Nc1nc(NCCN2CCSCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is KTLKMMSNFHHOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5S/c12-11(13,14)8-7-9(18-10(15)17-8)16-1-2-19-3-5-20-6-4-19/h7H,1-6H2,(H3,15,16,17,18).
What are the key properties of 4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 307.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 106327552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).