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

C9H13F3N4O2 — CID 54933255

IUPAC6-amino-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13F3N4O2/c1-2-3-16-6(13)5(7(17)15-8(16)18)14-4-9(10,11)12/h14H,2-4,13H2,1H3,(H,15,17,18)
InChIKeyXJPXHUNWEJHTTR-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.50
Rot. Bonds4

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

6-amino-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione (PubChem CID 54933255) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 6-amino-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
PubChem CID54933255
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC Name6-amino-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13F3N4O2/c1-2-3-16-6(13)5(7(17)15-8(16)18)14-4-9(10,11)12/h14H,2-4,13H2,1H3,(H,15,17,18)
InChIKeyXJPXHUNWEJHTTR-UHFFFAOYSA-N
XLogP0.50
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.50
H-Bond Donors ≤ 53
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-trifluoroethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione (CID 54933255) is 6-amino-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione is CCCn1c(N)c(NCC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
The InChIKey is XJPXHUNWEJHTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-2-3-16-6(13)5(7(17)15-8(16)18)14-4-9(10,11)12/h14H,2-4,13H2,1H3,(H,15,17,18).
What are the key properties of 6-amino-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
6-amino-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione has a molecular weight of 266.22 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 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-trifluoroethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 54933255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).