2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine

C11H17F3N4S — CID 106434022

IUPAC2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCSC(F)(F)F)nc(C)n1
InChIInChI=1S/C11H17F3N4S/c1-3-4-15-9-7-10(18-8(2)17-9)16-5-6-19-11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyNMGLQHZVIHKPAS-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.27
Rot. Bonds7

About 2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine

2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 106434022) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
PubChem CID106434022
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC Name2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCSC(F)(F)F)nc(C)n1
InChIInChI=1S/C11H17F3N4S/c1-3-4-15-9-7-10(18-8(2)17-9)16-5-6-19-11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyNMGLQHZVIHKPAS-UHFFFAOYSA-N
XLogP3.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
CID 106433956
2-(methoxymethyl)-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433968
6-methoxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106431054
6-N-ethyl-2-propan-2-yl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433946
6-N-methyl-2-methylsulfanyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433976
4-N-(2-methylsulfanylethyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772093
2-methyl-4-[2-(trifluoromethylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136842336
2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80886667
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787489
2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780616
6-bromo-2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106432146

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine (CID 106434022) is 2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine is CCCNc1cc(NCCSC(F)(F)F)nc(C)n1.
What is the InChIKey of 2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is NMGLQHZVIHKPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-3-4-15-9-7-10(18-8(2)17-9)16-5-6-19-11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine?
2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 294.35 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106434022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).