2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

C13H11ClF3N5O — CID 11279422

IUPAC2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESNc1nc(Cl)cc(NCC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11ClF3N5O/c14-9-5-10(22-12(18)21-9)19-6-11(23)20-8-3-1-2-7(4-8)13(15,16)17/h1-5H,6H2,(H,20,23)(H3,18,19,21,22)
InChIKeyQCCNAKMEGJUVAT-UHFFFAOYSA-N
MW345.71 g/mol
LogP2.78
Rot. Bonds4

About 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 11279422) has the molecular formula C13H11ClF3N5O and a molecular weight of 345.71 g/mol. Its IUPAC name is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID11279422
Molecular FormulaC13H11ClF3N5O
Molecular Weight345.71 g/mol
Exact Mass345.06
IUPAC Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESNc1nc(Cl)cc(NCC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11ClF3N5O/c14-9-5-10(22-12(18)21-9)19-6-11(23)20-8-3-1-2-7(4-8)13(15,16)17/h1-5H,6H2,(H,20,23)(H3,18,19,21,22)
InChIKeyQCCNAKMEGJUVAT-UHFFFAOYSA-N
XLogP2.78
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 11279422) is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is Nc1nc(Cl)cc(NCC(=O)Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QCCNAKMEGJUVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N5O/c14-9-5-10(22-12(18)21-9)19-6-11(23)20-8-3-1-2-7(4-8)13(15,16)17/h1-5H,6H2,(H,20,23)(H3,18,19,21,22).
What are the key properties of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 345.71 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 11279422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).