6-amino-5-(trifluoromethoxy)-1H-pyrimidin-2-one

C5H4F3N3O2 — CID 90220590

IUPAC6-amino-5-(trifluoromethoxy)-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1OC(F)(F)F
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)13-2-1-10-4(12)11-3(2)9/h1H,(H3,9,10,11,12)
InChIKeyCDRSGPWFBLQQOD-UHFFFAOYSA-N
MW195.10 g/mol
LogP0.25
Rot. Bonds1

About 6-amino-5-(trifluoromethoxy)-1H-pyrimidin-2-one

6-amino-5-(trifluoromethoxy)-1H-pyrimidin-2-one (PubChem CID 90220590) has the molecular formula C5H4F3N3O2 and a molecular weight of 195.10 g/mol. Its IUPAC name is 6-amino-5-(trifluoromethoxy)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-(trifluoromethoxy)-1H-pyrimidin-2-one
PubChem CID90220590
Molecular FormulaC5H4F3N3O2
Molecular Weight195.10 g/mol
Exact Mass195.03
IUPAC Name6-amino-5-(trifluoromethoxy)-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1OC(F)(F)F
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)13-2-1-10-4(12)11-3(2)9/h1H,(H3,9,10,11,12)
InChIKeyCDRSGPWFBLQQOD-UHFFFAOYSA-N
XLogP0.25
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-5-methoxy-1,2-dihydropyrimidin-2-one
CID 15422742

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(trifluoromethoxy)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-(trifluoromethoxy)-1H-pyrimidin-2-one (CID 90220590) is 6-amino-5-(trifluoromethoxy)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-(trifluoromethoxy)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-(trifluoromethoxy)-1H-pyrimidin-2-one is Nc1[nH]c(=O)ncc1OC(F)(F)F.
What is the InChIKey of 6-amino-5-(trifluoromethoxy)-1H-pyrimidin-2-one?
The InChIKey is CDRSGPWFBLQQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O2/c6-5(7,8)13-2-1-10-4(12)11-3(2)9/h1H,(H3,9,10,11,12).
What are the key properties of 6-amino-5-(trifluoromethoxy)-1H-pyrimidin-2-one?
6-amino-5-(trifluoromethoxy)-1H-pyrimidin-2-one has a molecular weight of 195.10 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(trifluoromethoxy)-1H-pyrimidin-2-one is sourced from PubChem (CID 90220590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).