2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine

C20H25F3N6 — CID 74767630

IUPAC2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc3c2CCCN3)CC1
InChIInChI=1S/C20H25F3N6/c21-20(22,23)15-5-3-14(4-6-15)17(12-24)28-8-10-29(11-9-28)19-16-2-1-7-25-18(16)26-13-27-19/h3-6,13,17H,1-2,7-12,24H2,(H,25,26,27)
InChIKeyCUBQBLLPFKWXRJ-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.68
Rot. Bonds4

About 2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine

2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 74767630) has the molecular formula C20H25F3N6 and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID74767630
Molecular FormulaC20H25F3N6
Molecular Weight406.46 g/mol
Exact Mass406.21
IUPAC Name2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc3c2CCCN3)CC1
InChIInChI=1S/C20H25F3N6/c21-20(22,23)15-5-3-14(4-6-15)17(12-24)28-8-10-29(11-9-28)19-16-2-1-7-25-18(16)26-13-27-19/h3-6,13,17H,1-2,7-12,24H2,(H,25,26,27)
InChIKeyCUBQBLLPFKWXRJ-UHFFFAOYSA-N
XLogP2.68
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 74767630) is 2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine is NCC(c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc3c2CCCN3)CC1.
What is the InChIKey of 2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is CUBQBLLPFKWXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6/c21-20(22,23)15-5-3-14(4-6-15)17(12-24)28-8-10-29(11-9-28)19-16-2-1-7-25-18(16)26-13-27-19/h3-6,13,17H,1-2,7-12,24H2,(H,25,26,27).
What are the key properties of 2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 406.46 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 74767630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).