6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine

C13H17ClF3N3 — CID 106767925

IUPAC6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC1CCC(Nc2cc(Cl)nc(C(F)(F)F)n2)C1C
InChIInChI=1S/C13H17ClF3N3/c1-3-8-4-5-9(7(8)2)18-11-6-10(14)19-12(20-11)13(15,16)17/h6-9H,3-5H2,1-2H3,(H,18,19,20)
InChIKeyCNNOBSPZORYHJL-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.39
Rot. Bonds3

About 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767925) has the molecular formula C13H17ClF3N3 and a molecular weight of 307.75 g/mol. Its IUPAC name is 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767925
Molecular FormulaC13H17ClF3N3
Molecular Weight307.75 g/mol
Exact Mass307.11
IUPAC Name6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC1CCC(Nc2cc(Cl)nc(C(F)(F)F)n2)C1C
InChIInChI=1S/C13H17ClF3N3/c1-3-8-4-5-9(7(8)2)18-11-6-10(14)19-12(20-11)13(15,16)17/h6-9H,3-5H2,1-2H3,(H,18,19,20)
InChIKeyCNNOBSPZORYHJL-UHFFFAOYSA-N
XLogP4.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767925) is 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine is CCC1CCC(Nc2cc(Cl)nc(C(F)(F)F)n2)C1C.
What is the InChIKey of 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is CNNOBSPZORYHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3/c1-3-8-4-5-9(7(8)2)18-11-6-10(14)19-12(20-11)13(15,16)17/h6-9H,3-5H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 307.75 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).