2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C17H18ClF3N6O2 — CID 31537817

IUPAC2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESNc1nc(Cl)cc(N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C17H18ClF3N6O2/c18-13-9-14(25-16(22)24-13)27-7-5-26(6-8-27)10-15(28)23-11-1-3-12(4-2-11)29-17(19,20)21/h1-4,9H,5-8,10H2,(H,23,28)(H2,22,24,25)
InChIKeyAEJTXESZSDGABK-UHFFFAOYSA-N
MW430.82 g/mol
LogP2.37
Rot. Bonds5

About 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 31537817) has the molecular formula C17H18ClF3N6O2 and a molecular weight of 430.82 g/mol. Its IUPAC name is 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID31537817
Molecular FormulaC17H18ClF3N6O2
Molecular Weight430.82 g/mol
Exact Mass430.11
IUPAC Name2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESNc1nc(Cl)cc(N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C17H18ClF3N6O2/c18-13-9-14(25-16(22)24-13)27-7-5-26(6-8-27)10-15(28)23-11-1-3-12(4-2-11)29-17(19,20)21/h1-4,9H,5-8,10H2,(H,23,28)(H2,22,24,25)
InChIKeyAEJTXESZSDGABK-UHFFFAOYSA-N
XLogP2.37
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.82
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 31537817) is 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is Nc1nc(Cl)cc(N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)n1.
What is the InChIKey of 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is AEJTXESZSDGABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N6O2/c18-13-9-14(25-16(22)24-13)27-7-5-26(6-8-27)10-15(28)23-11-1-3-12(4-2-11)29-17(19,20)21/h1-4,9H,5-8,10H2,(H,23,28)(H2,22,24,25).
What are the key properties of 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 430.82 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 31537817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).