5-chloro-6-ethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine

C13H17ClF3N3 — CID 163667325

IUPAC5-chloro-6-ethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(C(F)(F)F)CC2)c1Cl
InChIInChI=1S/C13H17ClF3N3/c1-2-10-11(14)12(19-7-18-10)20-9-5-3-8(4-6-9)13(15,16)17/h7-9H,2-6H2,1H3,(H,18,19,20)
InChIKeyIZPREZHVJBERAU-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.23
Rot. Bonds3

About 5-chloro-6-ethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine

5-chloro-6-ethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine (PubChem CID 163667325) has the molecular formula C13H17ClF3N3 and a molecular weight of 307.75 g/mol. Its IUPAC name is 5-chloro-6-ethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-ethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine
PubChem CID163667325
Molecular FormulaC13H17ClF3N3
Molecular Weight307.75 g/mol
Exact Mass307.11
IUPAC Name5-chloro-6-ethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(C(F)(F)F)CC2)c1Cl
InChIInChI=1S/C13H17ClF3N3/c1-2-10-11(14)12(19-7-18-10)20-9-5-3-8(4-6-9)13(15,16)17/h7-9H,2-6H2,1H3,(H,18,19,20)
InChIKeyIZPREZHVJBERAU-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-ethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine (CID 163667325) is 5-chloro-6-ethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-ethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-ethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine is CCc1ncnc(NC2CCC(C(F)(F)F)CC2)c1Cl.
What is the InChIKey of 5-chloro-6-ethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine?
The InChIKey is IZPREZHVJBERAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3/c1-2-10-11(14)12(19-7-18-10)20-9-5-3-8(4-6-9)13(15,16)17/h7-9H,2-6H2,1H3,(H,18,19,20).
What are the key properties of 5-chloro-6-ethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine?
5-chloro-6-ethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine has a molecular weight of 307.75 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine is sourced from PubChem (CID 163667325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).