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

C11H15F3N4 — CID 80847674

IUPACN-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCC(C(F)(F)F)CC2)ncn1
InChIInChI=1S/C11H15F3N4/c1-15-9-6-10(17-7-16-9)18-4-2-8(3-5-18)11(12,13)14/h6-8H,2-5H2,1H3,(H,15,16,17)
InChIKeyIVYVJJFMWWENSV-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.30
Rot. Bonds2

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

N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 80847674) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID80847674
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC NameN-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCC(C(F)(F)F)CC2)ncn1
InChIInChI=1S/C11H15F3N4/c1-15-9-6-10(17-7-16-9)18-4-2-8(3-5-18)11(12,13)14/h6-8H,2-5H2,1H3,(H,15,16,17)
InChIKeyIVYVJJFMWWENSV-UHFFFAOYSA-N
XLogP2.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (CID 80847674) is N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is CNc1cc(N2CCC(C(F)(F)F)CC2)ncn1.
What is the InChIKey of N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is IVYVJJFMWWENSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-15-9-6-10(17-7-16-9)18-4-2-8(3-5-18)11(12,13)14/h6-8H,2-5H2,1H3,(H,15,16,17).
What are the key properties of N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 260.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80847674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).