6-chloro-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine

C8H9ClF3N3S — CID 106432115

IUPAC6-chloro-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCCSC(F)(F)F
InChIInChI=1S/C8H9ClF3N3S/c1-5-6(9)14-4-15-7(5)13-2-3-16-8(10,11)12/h4H,2-3H2,1H3,(H,13,14,15)
InChIKeyZZWAYTQOFZFUSB-UHFFFAOYSA-N
MW271.69 g/mol
LogP3.10
Rot. Bonds4

About 6-chloro-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine

6-chloro-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (PubChem CID 106432115) has the molecular formula C8H9ClF3N3S and a molecular weight of 271.69 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
PubChem CID106432115
Molecular FormulaC8H9ClF3N3S
Molecular Weight271.69 g/mol
Exact Mass271.02
IUPAC Name6-chloro-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCCSC(F)(F)F
InChIInChI=1S/C8H9ClF3N3S/c1-5-6(9)14-4-15-7(5)13-2-3-16-8(10,11)12/h4H,2-3H2,1H3,(H,13,14,15)
InChIKeyZZWAYTQOFZFUSB-UHFFFAOYSA-N
XLogP3.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.69
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 14151822
6-Chloro-5-((2,2,2-trifluoroethylamino)methyl)pyrimidin-4-amine
CID 86666563
6-chloro-N-ethyl-5-fluoropyrimidin-4-amine
CID 87243734
6-chloro-5-fluoro-N-propylpyrimidin-4-amine
CID 87243805
6-chloro-5-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 91150261
6-Chloro-5-(difluoromethyl)pyrimidin-4-amine
CID 118290294
N-(2-ethylsulfanylethyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 141126398
6-chloro-4-N,5-dimethyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;ethane
CID 143946391
2,6-dichloro-N-ethyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 176309894
6-chloro-N,5-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane
CID 177214504
2-(2-Chloro-2-methylsulfanylethyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 178819895
2-chloro-N-(2-methylsulfanylethyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 178820249

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (CID 106432115) is 6-chloro-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is Cc1c(Cl)ncnc1NCCSC(F)(F)F.
What is the InChIKey of 6-chloro-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The InChIKey is ZZWAYTQOFZFUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3S/c1-5-6(9)14-4-15-7(5)13-2-3-16-8(10,11)12/h4H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 6-chloro-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
6-chloro-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine has a molecular weight of 271.69 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106432115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).