1-amino-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione

C12H10F3N3O3 — CID 57228612

IUPAC1-amino-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESNn1c(C(F)(F)F)cc(=O)n(OCc2ccccc2)c1=O
InChIInChI=1S/C12H10F3N3O3/c13-12(14,15)9-6-10(19)18(11(20)17(9)16)21-7-8-4-2-1-3-5-8/h1-6H,7,16H2
InChIKeyNFNNJBJVPAFRPS-UHFFFAOYSA-N
MW301.22 g/mol
LogP0.37
Rot. Bonds3

About 1-amino-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione

1-amino-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 57228612) has the molecular formula C12H10F3N3O3 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-amino-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-amino-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID57228612
Molecular FormulaC12H10F3N3O3
Molecular Weight301.22 g/mol
Exact Mass301.07
IUPAC Name1-amino-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESNn1c(C(F)(F)F)cc(=O)n(OCc2ccccc2)c1=O
InChIInChI=1S/C12H10F3N3O3/c13-12(14,15)9-6-10(19)18(11(20)17(9)16)21-7-8-4-2-1-3-5-8/h1-6H,7,16H2
InChIKeyNFNNJBJVPAFRPS-UHFFFAOYSA-N
XLogP0.37
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-amino-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 57228612) is 1-amino-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-amino-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-amino-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione is Nn1c(C(F)(F)F)cc(=O)n(OCc2ccccc2)c1=O.
What is the InChIKey of 1-amino-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is NFNNJBJVPAFRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3/c13-12(14,15)9-6-10(19)18(11(20)17(9)16)21-7-8-4-2-1-3-5-8/h1-6H,7,16H2.
What are the key properties of 1-amino-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione?
1-amino-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 301.22 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-phenylmethoxy-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 57228612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).