N-(2-piperazin-1-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C13H20F3N5 — CID 56871176

IUPACN-(2-piperazin-1-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NCCN2CCNCC2)n1
InChIInChI=1S/C13H20F3N5/c14-13(15,16)3-1-11-2-4-18-12(20-11)19-7-10-21-8-5-17-6-9-21/h2,4,17H,1,3,5-10H2,(H,18,19,20)
InChIKeyNRXVNLGQJAXICJ-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.29
Rot. Bonds6

About N-(2-piperazin-1-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-(2-piperazin-1-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56871176) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56871176
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC NameN-(2-piperazin-1-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(NCCN2CCNCC2)n1
InChIInChI=1S/C13H20F3N5/c14-13(15,16)3-1-11-2-4-18-12(20-11)19-7-10-21-8-5-17-6-9-21/h2,4,17H,1,3,5-10H2,(H,18,19,20)
InChIKeyNRXVNLGQJAXICJ-UHFFFAOYSA-N
XLogP1.29
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-(2-piperazin-1-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56871176) is N-(2-piperazin-1-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is FC(F)(F)CCc1ccnc(NCCN2CCNCC2)n1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is NRXVNLGQJAXICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c14-13(15,16)3-1-11-2-4-18-12(20-11)19-7-10-21-8-5-17-6-9-21/h2,4,17H,1,3,5-10H2,(H,18,19,20).
What are the key properties of N-(2-piperazin-1-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-(2-piperazin-1-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 303.33 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56871176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).