2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C11H17F3N4S — CID 114565904

IUPAC2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCC(CSC)Nc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C11H17F3N4S/c1-4-7(6-19-3)16-9-5-8(11(12,13)14)17-10(15-2)18-9/h5,7H,4,6H2,1-3H3,(H2,15,16,17,18)
InChIKeyMHPVXYKRLSTPRM-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.09
Rot. Bonds6

About 2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114565904) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114565904
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC Name2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCC(CSC)Nc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C11H17F3N4S/c1-4-7(6-19-3)16-9-5-8(11(12,13)14)17-10(15-2)18-9/h5,7H,4,6H2,1-3H3,(H2,15,16,17,18)
InChIKeyMHPVXYKRLSTPRM-UHFFFAOYSA-N
XLogP3.09
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563840
2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565150
4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564719
4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565160
6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719346
4-N-[1-(diethylamino)propan-2-yl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564798
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 114565912
2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562202
2-methyl-3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565854
2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565215
3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 114565499
2-N-methyl-6-(trifluoromethyl)-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 114565666

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114565904) is 2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCC(CSC)Nc1cc(C(F)(F)F)nc(NC)n1.
What is the InChIKey of 2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is MHPVXYKRLSTPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-4-7(6-19-3)16-9-5-8(11(12,13)14)17-10(15-2)18-9/h5,7H,4,6H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 294.35 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114565904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).