5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

C11H15F3N4 — CID 80847239

IUPAC5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCc1c(N)ncnc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N4/c1-7-9(15)16-6-17-10(7)18-4-2-8(3-5-18)11(12,13)14/h6,8H,2-5H2,1H3,(H2,15,16,17)
InChIKeyLTTNNLRAJMOUIR-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.15
Rot. Bonds1

About 5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 80847239) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID80847239
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCc1c(N)ncnc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N4/c1-7-9(15)16-6-17-10(7)18-4-2-8(3-5-18)11(12,13)14/h6,8H,2-5H2,1H3,(H2,15,16,17)
InChIKeyLTTNNLRAJMOUIR-UHFFFAOYSA-N
XLogP2.15
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (CID 80847239) is 5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is Cc1c(N)ncnc1N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is LTTNNLRAJMOUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-7-9(15)16-6-17-10(7)18-4-2-8(3-5-18)11(12,13)14/h6,8H,2-5H2,1H3,(H2,15,16,17).
What are the key properties of 5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 260.26 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80847239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).