2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C10H9ClF3N3S2 — CID 114188160

IUPAC2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCSC(F)(F)F)nc(Cl)nc2s1
InChIInChI=1S/C10H9ClF3N3S2/c1-5-4-6-7(15-2-3-18-10(12,13)14)16-9(11)17-8(6)19-5/h4H,2-3H2,1H3,(H,15,16,17)
InChIKeyZFOZUMBMMWUQME-UHFFFAOYSA-N
MW327.78 g/mol
LogP4.32
Rot. Bonds4

About 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 114188160) has the molecular formula C10H9ClF3N3S2 and a molecular weight of 327.78 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID114188160
Molecular FormulaC10H9ClF3N3S2
Molecular Weight327.78 g/mol
Exact Mass326.99
IUPAC Name2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCSC(F)(F)F)nc(Cl)nc2s1
InChIInChI=1S/C10H9ClF3N3S2/c1-5-4-6-7(15-2-3-18-10(12,13)14)16-9(11)17-8(6)19-5/h4H,2-3H2,1H3,(H,15,16,17)
InChIKeyZFOZUMBMMWUQME-UHFFFAOYSA-N
XLogP4.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 82066304
N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103321513
2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322476
2-chloro-N-(2-chloroprop-2-enyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106195492
2-chloro-6-methyl-N-[2-(3-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321462
2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320512
2-[3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propoxy]ethanol
CID 114171977
2-chloro-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321900
2-chloro-6-methyl-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322498
2-chloro-6-methyl-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320757
2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321095
2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106106124

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 114188160) is 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCCSC(F)(F)F)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZFOZUMBMMWUQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3S2/c1-5-4-6-7(15-2-3-18-10(12,13)14)16-9(11)17-8(6)19-5/h4H,2-3H2,1H3,(H,15,16,17).
What are the key properties of 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 327.78 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 114188160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).