6-amino-1-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyrimidine-2,4-dione

C9H13F3N4O2 — CID 113461539

IUPAC6-amino-1-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyrimidine-2,4-dione
SMILESCC(CC(F)(F)F)Nc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H13F3N4O2/c1-4(3-9(10,11)12)14-5-6(13)16(2)8(18)15-7(5)17/h4,14H,3,13H2,1-2H3,(H,15,17,18)
InChIKeyUDTMUCTUMGOOFK-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.41
Rot. Bonds3

About 6-amino-1-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyrimidine-2,4-dione

6-amino-1-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyrimidine-2,4-dione (PubChem CID 113461539) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyrimidine-2,4-dione
PubChem CID113461539
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC Name6-amino-1-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyrimidine-2,4-dione
SMILESCC(CC(F)(F)F)Nc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H13F3N4O2/c1-4(3-9(10,11)12)14-5-6(13)16(2)8(18)15-7(5)17/h4,14H,3,13H2,1-2H3,(H,15,17,18)
InChIKeyUDTMUCTUMGOOFK-UHFFFAOYSA-N
XLogP0.41
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyrimidine-2,4-dione (CID 113461539) is 6-amino-1-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyrimidine-2,4-dione is CC(CC(F)(F)F)Nc1c(N)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyrimidine-2,4-dione?
The InChIKey is UDTMUCTUMGOOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-4(3-9(10,11)12)14-5-6(13)16(2)8(18)15-7(5)17/h4,14H,3,13H2,1-2H3,(H,15,17,18).
What are the key properties of 6-amino-1-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyrimidine-2,4-dione?
6-amino-1-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyrimidine-2,4-dione has a molecular weight of 266.22 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 113461539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).