N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

C13H19F3N4 — CID 80847527

IUPACN-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCCNc1cc(N2CCC(C(F)(F)F)CC2)nc(C)n1
InChIInChI=1S/C13H19F3N4/c1-3-17-11-8-12(19-9(2)18-11)20-6-4-10(5-7-20)13(14,15)16/h8,10H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyAHUVGSNFLLNQSR-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.00
Rot. Bonds3

About N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 80847527) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID80847527
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC NameN-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCCNc1cc(N2CCC(C(F)(F)F)CC2)nc(C)n1
InChIInChI=1S/C13H19F3N4/c1-3-17-11-8-12(19-9(2)18-11)20-6-4-10(5-7-20)13(14,15)16/h8,10H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyAHUVGSNFLLNQSR-UHFFFAOYSA-N
XLogP3.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (CID 80847527) is N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is CCNc1cc(N2CCC(C(F)(F)F)CC2)nc(C)n1.
What is the InChIKey of N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is AHUVGSNFLLNQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-3-17-11-8-12(19-9(2)18-11)20-6-4-10(5-7-20)13(14,15)16/h8,10H,3-7H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 288.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80847527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).