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

C12H18F3N5S — CID 106327619

IUPAC6-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCCN2CCSCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5S/c1-16-9-8-10(19-11(18-9)12(13,14)15)17-2-3-20-4-6-21-7-5-20/h8H,2-7H2,1H3,(H2,16,17,18,19)
InChIKeyXDUUCAXQXGCFFH-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.00
Rot. Bonds5

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

6-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106327619) has the molecular formula C12H18F3N5S and a molecular weight of 321.37 g/mol. Its IUPAC name is 6-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106327619
Molecular FormulaC12H18F3N5S
Molecular Weight321.37 g/mol
Exact Mass321.12
IUPAC Name6-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCCN2CCSCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5S/c1-16-9-8-10(19-11(18-9)12(13,14)15)17-2-3-20-4-6-21-7-5-20/h8H,2-7H2,1H3,(H2,16,17,18,19)
InChIKeyXDUUCAXQXGCFFH-UHFFFAOYSA-N
XLogP2.00
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106327611
2-tert-butyl-6-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80957241
4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106327552
6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine
CID 114174033
2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 113234720
N-[2-(azepan-1-yl)ethyl]-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106194008
2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 114174035
6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772673
6-hydrazinyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106327653
6-N-methyl-4-N-(thian-4-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773169
2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 114174041
N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106771575

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106327619) is 6-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(NCCN2CCSCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is XDUUCAXQXGCFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5S/c1-16-9-8-10(19-11(18-9)12(13,14)15)17-2-3-20-4-6-21-7-5-20/h8H,2-7H2,1H3,(H2,16,17,18,19).
What are the key properties of 6-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 321.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106327619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).