N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine

C17H21F3N6 — CID 171995745

IUPACN-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1cc(N2CCCC(N(C)c3cc(C(F)(F)F)ncn3)C2)ncn1
InChIInChI=1S/C17H21F3N6/c1-3-12-7-16(24-10-21-12)26-6-4-5-13(9-26)25(2)15-8-14(17(18,19)20)22-11-23-15/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyACLDJMNQLHRUIM-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.95
Rot. Bonds4

About N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine

N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 171995745) has the molecular formula C17H21F3N6 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID171995745
Molecular FormulaC17H21F3N6
Molecular Weight366.39 g/mol
Exact Mass366.18
IUPAC NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1cc(N2CCCC(N(C)c3cc(C(F)(F)F)ncn3)C2)ncn1
InChIInChI=1S/C17H21F3N6/c1-3-12-7-16(24-10-21-12)26-6-4-5-13(9-26)25(2)15-8-14(17(18,19)20)22-11-23-15/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyACLDJMNQLHRUIM-UHFFFAOYSA-N
XLogP2.95
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 171995745) is N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine is CCc1cc(N2CCCC(N(C)c3cc(C(F)(F)F)ncn3)C2)ncn1.
What is the InChIKey of N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ACLDJMNQLHRUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6/c1-3-12-7-16(24-10-21-12)26-6-4-5-13(9-26)25(2)15-8-14(17(18,19)20)22-11-23-15/h7-8,10-11,13H,3-6,9H2,1-2H3.
What are the key properties of N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 366.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 171995745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).