6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine

C8H9ClF3N3S — CID 14151822

IUPAC6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1nc(SC)nc(Cl)c1C(F)(F)F
InChIInChI=1S/C8H9ClF3N3S/c1-3-13-6-4(8(10,11)12)5(9)14-7(15-6)16-2/h3H2,1-2H3,(H,13,14,15)
InChIKeyUGJCNDYTECFZPA-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.30
Rot. Bonds3

About 6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 14151822) has the molecular formula C8H9ClF3N3S and a molecular weight of 271.70 g/mol. Its IUPAC name is 6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID14151822
Molecular FormulaC8H9ClF3N3S
Molecular Weight271.70 g/mol
Exact Mass271.02
IUPAC Name6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1nc(SC)nc(Cl)c1C(F)(F)F
InChIInChI=1S/C8H9ClF3N3S/c1-3-13-6-4(8(10,11)12)5(9)14-7(15-6)16-2/h3H2,1-2H3,(H,13,14,15)
InChIKeyUGJCNDYTECFZPA-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine (CID 14151822) is 6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine is CCNc1nc(SC)nc(Cl)c1C(F)(F)F.
What is the InChIKey of 6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UGJCNDYTECFZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3S/c1-3-13-6-4(8(10,11)12)5(9)14-7(15-6)16-2/h3H2,1-2H3,(H,13,14,15).
What are the key properties of 6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 271.70 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 14151822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).