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2-methyl-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-amine

C16H26F3N5 — CID 56881513

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-methyl-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-amine
SMILESCC(C)c1cc(C(F)(F)F)nc(N2CCN(CC(C)(C)N)CC2)n1
InChIInChI=1S/C16H26F3N5/c1-11(2)12-9-13(16(17,18)19)22-14(21-12)24-7-5-23(6-8-24)10-15(3,4)20/h9,11H,5-8,10,20H2,1-4H3
InChIKeyNZFVNYSDCOMNEW-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.48
Rot. Bonds4

About 2-methyl-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-amine

2-methyl-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-amine (PubChem CID 56881513) has the molecular formula C16H26F3N5 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-methyl-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-amine
PubChem CID56881513
Molecular FormulaC16H26F3N5
Molecular Weight345.41 g/mol
Exact Mass345.21
IUPAC Name2-methyl-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-amine
SMILESCC(C)c1cc(C(F)(F)F)nc(N2CCN(CC(C)(C)N)CC2)n1
InChIInChI=1S/C16H26F3N5/c1-11(2)12-9-13(16(17,18)19)22-14(21-12)24-7-5-23(6-8-24)10-15(3,4)20/h9,11H,5-8,10,20H2,1-4H3
InChIKeyNZFVNYSDCOMNEW-UHFFFAOYSA-N
XLogP2.48
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-amine?
The IUPAC name of 2-methyl-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-amine (CID 56881513) is 2-methyl-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-amine is CC(C)c1cc(C(F)(F)F)nc(N2CCN(CC(C)(C)N)CC2)n1.
What is the InChIKey of 2-methyl-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-amine?
The InChIKey is NZFVNYSDCOMNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N5/c1-11(2)12-9-13(16(17,18)19)22-14(21-12)24-7-5-23(6-8-24)10-15(3,4)20/h9,11H,5-8,10,20H2,1-4H3.
What are the key properties of 2-methyl-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-amine?
2-methyl-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-amine has a molecular weight of 345.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-amine is sourced from PubChem (CID 56881513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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