6-amino-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione

C9H10F3N3O3 — CID 2402663

IUPAC6-amino-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H10F3N3O3/c1-2-3-15-6(13)4(5(16)9(10,11)12)7(17)14-8(15)18/h2-3,13H2,1H3,(H,14,17,18)
InChIKeyNIKHSFPBPSGAOW-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.27
Rot. Bonds3

About 6-amino-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione

6-amino-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione (PubChem CID 2402663) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 6-amino-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
PubChem CID2402663
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name6-amino-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H10F3N3O3/c1-2-3-15-6(13)4(5(16)9(10,11)12)7(17)14-8(15)18/h2-3,13H2,1H3,(H,14,17,18)
InChIKeyNIKHSFPBPSGAOW-UHFFFAOYSA-N
XLogP0.27
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione (CID 2402663) is 6-amino-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione is CCCn1c(N)c(C(=O)C(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
The InChIKey is NIKHSFPBPSGAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c1-2-3-15-6(13)4(5(16)9(10,11)12)7(17)14-8(15)18/h2-3,13H2,1H3,(H,14,17,18).
What are the key properties of 6-amino-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione?
6-amino-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione has a molecular weight of 265.19 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-propyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2402663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).