5-amino-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione

C5H4F3N3O2 — CID 78175998

IUPAC5-amino-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione
SMILESNC1C(=O)N=C(C(F)(F)F)NC1=O
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)4-10-2(12)1(9)3(13)11-4/h1H,9H2,(H,10,11,12,13)
InChIKeyFIRBLPXQQQNNCM-UHFFFAOYSA-N
MW195.10 g/mol
LogP-1.07
Rot. Bonds

About 5-amino-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione

5-amino-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione (PubChem CID 78175998) has the molecular formula C5H4F3N3O2 and a molecular weight of 195.10 g/mol. Its IUPAC name is 5-amino-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-amino-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione
PubChem CID78175998
Molecular FormulaC5H4F3N3O2
Molecular Weight195.10 g/mol
Exact Mass195.03
IUPAC Name5-amino-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione
SMILESNC1C(=O)N=C(C(F)(F)F)NC1=O
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)4-10-2(12)1(9)3(13)11-4/h1H,9H2,(H,10,11,12,13)
InChIKeyFIRBLPXQQQNNCM-UHFFFAOYSA-N
XLogP-1.07
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

CID 173379004
CID 173379004
CID 80550601
CID 80550601
CID 80550921
CID 80550921
CID 80551003
CID 80551003
CID 80551005
CID 80551005
CID 119097089
CID 119097089
CID 73182808
CID 73182808
CID 76220688
CID 76220688
CID 79501835
CID 79501835

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-amino-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione (CID 78175998) is 5-amino-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-amino-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-amino-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione is NC1C(=O)N=C(C(F)(F)F)NC1=O.
What is the InChIKey of 5-amino-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione?
The InChIKey is FIRBLPXQQQNNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O2/c6-5(7,8)4-10-2(12)1(9)3(13)11-4/h1H,9H2,(H,10,11,12,13).
What are the key properties of 5-amino-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione?
5-amino-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione has a molecular weight of 195.10 g/mol, XLogP of -1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 78175998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).