N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide

C6H5F3N4O2 — CID 137314276

IUPACN-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide
SMILESNc1nc[nH]c(=O)c1NC(=O)C(F)(F)F
InChIInChI=1S/C6H5F3N4O2/c7-6(8,9)5(15)13-2-3(10)11-1-12-4(2)14/h1H,(H,13,15)(H3,10,11,12,14)
InChIKeyOASNEYPUCQRAEU-UHFFFAOYSA-N
MW222.13 g/mol
LogP-0.15
Rot. Bonds1

About N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide

N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide (PubChem CID 137314276) has the molecular formula C6H5F3N4O2 and a molecular weight of 222.13 g/mol. Its IUPAC name is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide
PubChem CID137314276
Molecular FormulaC6H5F3N4O2
Molecular Weight222.13 g/mol
Exact Mass222.04
IUPAC NameN-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide
SMILESNc1nc[nH]c(=O)c1NC(=O)C(F)(F)F
InChIInChI=1S/C6H5F3N4O2/c7-6(8,9)5(15)13-2-3(10)11-1-12-4(2)14/h1H,(H,13,15)(H3,10,11,12,14)
InChIKeyOASNEYPUCQRAEU-UHFFFAOYSA-N
XLogP-0.15
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide (CID 137314276) is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide is Nc1nc[nH]c(=O)c1NC(=O)C(F)(F)F.
What is the InChIKey of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide?
The InChIKey is OASNEYPUCQRAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4O2/c7-6(8,9)5(15)13-2-3(10)11-1-12-4(2)14/h1H,(H,13,15)(H3,10,11,12,14).
What are the key properties of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide?
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide has a molecular weight of 222.13 g/mol, XLogP of -0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 137314276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).