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

C11H17F3N4O3 — CID 107484402

IUPAC6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N(CCO)CC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C11H17F3N4O3/c1-2-3-18-8(15)7(9(20)16-10(18)21)17(4-5-19)6-11(12,13)14/h19H,2-6,15H2,1H3,(H,16,20,21)
InChIKeyJNBJNWMNNNIVCH-UHFFFAOYSA-N
MW310.28 g/mol
LogP-0.11
Rot. Bonds6

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

6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-propylpyrimidine-2,4-dione (PubChem CID 107484402) has the molecular formula C11H17F3N4O3 and a molecular weight of 310.28 g/mol. Its IUPAC name is 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-propylpyrimidine-2,4-dione
PubChem CID107484402
Molecular FormulaC11H17F3N4O3
Molecular Weight310.28 g/mol
Exact Mass310.13
IUPAC Name6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N(CCO)CC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C11H17F3N4O3/c1-2-3-18-8(15)7(9(20)16-10(18)21)17(4-5-19)6-11(12,13)14/h19H,2-6,15H2,1H3,(H,16,20,21)
InChIKeyJNBJNWMNNNIVCH-UHFFFAOYSA-N
XLogP-0.11
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-propylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-propylpyrimidine-2,4-dione (CID 107484402) is 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-propylpyrimidine-2,4-dione is CCCn1c(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-propylpyrimidine-2,4-dione?
The InChIKey is JNBJNWMNNNIVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O3/c1-2-3-18-8(15)7(9(20)16-10(18)21)17(4-5-19)6-11(12,13)14/h19H,2-6,15H2,1H3,(H,16,20,21).
What are the key properties of 6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-propylpyrimidine-2,4-dione has a molecular weight of 310.28 g/mol, XLogP of -0.11, 6 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-propylpyrimidine-2,4-dione is sourced from PubChem (CID 107484402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).