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

C10H15F3N4O2 — CID 54933301

IUPAC6-amino-1-butyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C10H15F3N4O2/c1-2-3-4-17-7(14)6(8(18)16-9(17)19)15-5-10(11,12)13/h15H,2-5,14H2,1H3,(H,16,18,19)
InChIKeyWVJYDRZSLRPLSH-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.89
Rot. Bonds5

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

6-amino-1-butyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione (PubChem CID 54933301) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 6-amino-1-butyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
PubChem CID54933301
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name6-amino-1-butyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C10H15F3N4O2/c1-2-3-4-17-7(14)6(8(18)16-9(17)19)15-5-10(11,12)13/h15H,2-5,14H2,1H3,(H,16,18,19)
InChIKeyWVJYDRZSLRPLSH-UHFFFAOYSA-N
XLogP0.89
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione (CID 54933301) is 6-amino-1-butyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione is CCCCn1c(N)c(NCC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
The InChIKey is WVJYDRZSLRPLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-2-3-4-17-7(14)6(8(18)16-9(17)19)15-5-10(11,12)13/h15H,2-5,14H2,1H3,(H,16,18,19).
What are the key properties of 6-amino-1-butyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
6-amino-1-butyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione has a molecular weight of 280.25 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 54933301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).