1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine

C16H21F3N6 — CID 25247774

IUPAC1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine
SMILESCCn1ncc(-c2cc(C(F)(F)F)nc(N3CCC(N)CC3)n2)c1C
InChIInChI=1S/C16H21F3N6/c1-3-25-10(2)12(9-21-25)13-8-14(16(17,18)19)23-15(22-13)24-6-4-11(20)5-7-24/h8-9,11H,3-7,20H2,1-2H3
InChIKeyDYPDEHNIUIWDOH-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.61
Rot. Bonds3

About 1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine

1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine (PubChem CID 25247774) has the molecular formula C16H21F3N6 and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine
PubChem CID25247774
Molecular FormulaC16H21F3N6
Molecular Weight354.38 g/mol
Exact Mass354.18
IUPAC Name1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine
SMILESCCn1ncc(-c2cc(C(F)(F)F)nc(N3CCC(N)CC3)n2)c1C
InChIInChI=1S/C16H21F3N6/c1-3-25-10(2)12(9-21-25)13-8-14(16(17,18)19)23-15(22-13)24-6-4-11(20)5-7-24/h8-9,11H,3-7,20H2,1-2H3
InChIKeyDYPDEHNIUIWDOH-UHFFFAOYSA-N
XLogP2.61
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine (CID 25247774) is 1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine is CCn1ncc(-c2cc(C(F)(F)F)nc(N3CCC(N)CC3)n2)c1C.
What is the InChIKey of 1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is DYPDEHNIUIWDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6/c1-3-25-10(2)12(9-21-25)13-8-14(16(17,18)19)23-15(22-13)24-6-4-11(20)5-7-24/h8-9,11H,3-7,20H2,1-2H3.
What are the key properties of 1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine?
1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 354.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 25247774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).