N-(4-aminopyrimidin-5-yl)-2,2,2-trifluoroacetamide

C6H5F3N4O — CID 130008720

IUPACN-(4-aminopyrimidin-5-yl)-2,2,2-trifluoroacetamide
SMILESNc1ncncc1NC(=O)C(F)(F)F
InChIInChI=1S/C6H5F3N4O/c7-6(8,9)5(14)13-3-1-11-2-12-4(3)10/h1-2H,(H,13,14)(H2,10,11,12)
InChIKeyJCKMGDNUHJLYMJ-UHFFFAOYSA-N
MW206.13 g/mol
LogP0.56
Rot. Bonds1

About N-(4-aminopyrimidin-5-yl)-2,2,2-trifluoroacetamide

N-(4-aminopyrimidin-5-yl)-2,2,2-trifluoroacetamide (PubChem CID 130008720) has the molecular formula C6H5F3N4O and a molecular weight of 206.13 g/mol. Its IUPAC name is N-(4-aminopyrimidin-5-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-aminopyrimidin-5-yl)-2,2,2-trifluoroacetamide
PubChem CID130008720
Molecular FormulaC6H5F3N4O
Molecular Weight206.13 g/mol
Exact Mass206.04
IUPAC NameN-(4-aminopyrimidin-5-yl)-2,2,2-trifluoroacetamide
SMILESNc1ncncc1NC(=O)C(F)(F)F
InChIInChI=1S/C6H5F3N4O/c7-6(8,9)5(14)13-3-1-11-2-12-4(3)10/h1-2H,(H,13,14)(H2,10,11,12)
InChIKeyJCKMGDNUHJLYMJ-UHFFFAOYSA-N
XLogP0.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminopyrimidin-5-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-aminopyrimidin-5-yl)-2,2,2-trifluoroacetamide (CID 130008720) is N-(4-aminopyrimidin-5-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-aminopyrimidin-5-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-aminopyrimidin-5-yl)-2,2,2-trifluoroacetamide is Nc1ncncc1NC(=O)C(F)(F)F.
What is the InChIKey of N-(4-aminopyrimidin-5-yl)-2,2,2-trifluoroacetamide?
The InChIKey is JCKMGDNUHJLYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4O/c7-6(8,9)5(14)13-3-1-11-2-12-4(3)10/h1-2H,(H,13,14)(H2,10,11,12).
What are the key properties of N-(4-aminopyrimidin-5-yl)-2,2,2-trifluoroacetamide?
N-(4-aminopyrimidin-5-yl)-2,2,2-trifluoroacetamide has a molecular weight of 206.13 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopyrimidin-5-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 130008720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).