6-amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione

C10H15F3N4O2 — CID 54933349

IUPAC6-amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H15F3N4O2/c1-3-4-17-7(14)6(15-5-10(11,12)13)8(18)16(2)9(17)19/h15H,3-5,14H2,1-2H3
InChIKeyADWKSMOHDPDXND-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.51
Rot. Bonds4

About 6-amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione

6-amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione (PubChem CID 54933349) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 6-amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
PubChem CID54933349
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name6-amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H15F3N4O2/c1-3-4-17-7(14)6(15-5-10(11,12)13)8(18)16(2)9(17)19/h15H,3-5,14H2,1-2H3
InChIKeyADWKSMOHDPDXND-UHFFFAOYSA-N
XLogP0.51
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione (CID 54933349) is 6-amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione is CCCn1c(N)c(NCC(F)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
The InChIKey is ADWKSMOHDPDXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-3-4-17-7(14)6(15-5-10(11,12)13)8(18)16(2)9(17)19/h15H,3-5,14H2,1-2H3.
What are the key properties of 6-amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
6-amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione has a molecular weight of 280.25 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 54933349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).