6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine

C11H15F3N4S — CID 106219554

IUPAC6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2(C(F)(F)F)CC2)nc(SC)n1
InChIInChI=1S/C11H15F3N4S/c1-3-15-7-6-8(17-9(16-7)19-2)18-10(4-5-10)11(12,13)14/h6H,3-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyMCPBTBWDQGHJSD-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.14
Rot. Bonds5

About 6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine

6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine (PubChem CID 106219554) has the molecular formula C11H15F3N4S and a molecular weight of 292.33 g/mol. Its IUPAC name is 6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
PubChem CID106219554
Molecular FormulaC11H15F3N4S
Molecular Weight292.33 g/mol
Exact Mass292.10
IUPAC Name6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2(C(F)(F)F)CC2)nc(SC)n1
InChIInChI=1S/C11H15F3N4S/c1-3-15-7-6-8(17-9(16-7)19-2)18-10(4-5-10)11(12,13)14/h6H,3-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyMCPBTBWDQGHJSD-UHFFFAOYSA-N
XLogP3.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 113313781
2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol
CID 80765964
1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol
CID 113493058
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149850
6-N-ethyl-4-N-[(2-ethylphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826768
N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine
CID 80865847
6-N-ethyl-2-methylsulfanyl-4-N-(4-methylsulfanylbutyl)pyrimidine-4,6-diamine
CID 113488426
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80840347
2-(ethoxymethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
CID 106219460
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80771670
1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
CID 80851642

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine (CID 106219554) is 6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine is CCNc1cc(NC2(C(F)(F)F)CC2)nc(SC)n1.
What is the InChIKey of 6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The InChIKey is MCPBTBWDQGHJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4S/c1-3-15-7-6-8(17-9(16-7)19-2)18-10(4-5-10)11(12,13)14/h6H,3-5H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine has a molecular weight of 292.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-methylsulfanyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106219554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).