6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrimidine-2,4-dione

C9H13F3N4O3 — CID 107484558

IUPAC6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(N(CCO)CC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13F3N4O3/c1-15-6(13)5(7(18)14-8(15)19)16(2-3-17)4-9(10,11)12/h17H,2-4,13H2,1H3,(H,14,18,19)
InChIKeyOEZGAGPQWRDURL-UHFFFAOYSA-N
MW282.22 g/mol
LogP-0.98
Rot. Bonds4

About 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrimidine-2,4-dione

6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrimidine-2,4-dione (PubChem CID 107484558) has the molecular formula C9H13F3N4O3 and a molecular weight of 282.22 g/mol. Its IUPAC name is 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrimidine-2,4-dione
PubChem CID107484558
Molecular FormulaC9H13F3N4O3
Molecular Weight282.22 g/mol
Exact Mass282.09
IUPAC Name6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(N(CCO)CC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13F3N4O3/c1-15-6(13)5(7(18)14-8(15)19)16(2-3-17)4-9(10,11)12/h17H,2-4,13H2,1H3,(H,14,18,19)
InChIKeyOEZGAGPQWRDURL-UHFFFAOYSA-N
XLogP-0.98
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrimidine-2,4-dione (CID 107484558) is 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrimidine-2,4-dione is Cn1c(N)c(N(CCO)CC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrimidine-2,4-dione?
The InChIKey is OEZGAGPQWRDURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O3/c1-15-6(13)5(7(18)14-8(15)19)16(2-3-17)4-9(10,11)12/h17H,2-4,13H2,1H3,(H,14,18,19).
What are the key properties of 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrimidine-2,4-dione?
6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrimidine-2,4-dione has a molecular weight of 282.22 g/mol, XLogP of -0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 107484558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).