6-chloro-N-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine

C10H13ClF3N3S — CID 114238010

IUPAC6-chloro-N-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCSCCCN(C)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3S/c1-17(4-3-5-18-2)8-6-7(11)15-9(16-8)10(12,13)14/h6H,3-5H2,1-2H3
InChIKeyBUUDGPJUHFUUAA-UHFFFAOYSA-N
MW299.75 g/mol
LogP3.34
Rot. Bonds5

About 6-chloro-N-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114238010) has the molecular formula C10H13ClF3N3S and a molecular weight of 299.75 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114238010
Molecular FormulaC10H13ClF3N3S
Molecular Weight299.75 g/mol
Exact Mass299.05
IUPAC Name6-chloro-N-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCSCCCN(C)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3S/c1-17(4-3-5-18-2)8-6-7(11)15-9(16-8)10(12,13)14/h6H,3-5H2,1-2H3
InChIKeyBUUDGPJUHFUUAA-UHFFFAOYSA-N
XLogP3.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 114238010) is 6-chloro-N-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine is CSCCCN(C)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BUUDGPJUHFUUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3S/c1-17(4-3-5-18-2)8-6-7(11)15-9(16-8)10(12,13)14/h6H,3-5H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 299.75 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114238010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).