5-amino-3-(2,2-difluoroethyl)-1-propylpyrimidine-2,4-dione

C9H13F2N3O2 — CID 63799940

IUPAC5-amino-3-(2,2-difluoroethyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)n(CC(F)F)c1=O
InChIInChI=1S/C9H13F2N3O2/c1-2-3-13-4-6(12)8(15)14(9(13)16)5-7(10)11/h4,7H,2-3,5,12H2,1H3
InChIKeyJAXHTWLWGXWKLD-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.27
Rot. Bonds4

About 5-amino-3-(2,2-difluoroethyl)-1-propylpyrimidine-2,4-dione

5-amino-3-(2,2-difluoroethyl)-1-propylpyrimidine-2,4-dione (PubChem CID 63799940) has the molecular formula C9H13F2N3O2 and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-amino-3-(2,2-difluoroethyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-(2,2-difluoroethyl)-1-propylpyrimidine-2,4-dione
PubChem CID63799940
Molecular FormulaC9H13F2N3O2
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name5-amino-3-(2,2-difluoroethyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)n(CC(F)F)c1=O
InChIInChI=1S/C9H13F2N3O2/c1-2-3-13-4-6(12)8(15)14(9(13)16)5-7(10)11/h4,7H,2-3,5,12H2,1H3
InChIKeyJAXHTWLWGXWKLD-UHFFFAOYSA-N
XLogP0.27
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 265774
5-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 250711
ST50759025
CID 284250
N,N-diethyl-2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 296426
5-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidine-2,4-dione
CID 156340837
1,3-Bis(2-fluoroethyl)-5-(2-fluoroethylamino)pyrimidine-2,4-dione
CID 417386
3-propyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 1472065
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 40151526
1-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1-(2-fluoroethyl)urea
CID 45093434
6-Amino-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
CID 54933255
6-Amino-1-butyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
CID 54933301
6-Amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
CID 54933349

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2,2-difluoroethyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-3-(2,2-difluoroethyl)-1-propylpyrimidine-2,4-dione (CID 63799940) is 5-amino-3-(2,2-difluoroethyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-3-(2,2-difluoroethyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-3-(2,2-difluoroethyl)-1-propylpyrimidine-2,4-dione is CCCn1cc(N)c(=O)n(CC(F)F)c1=O.
What is the InChIKey of 5-amino-3-(2,2-difluoroethyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is JAXHTWLWGXWKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2/c1-2-3-13-4-6(12)8(15)14(9(13)16)5-7(10)11/h4,7H,2-3,5,12H2,1H3.
What are the key properties of 5-amino-3-(2,2-difluoroethyl)-1-propylpyrimidine-2,4-dione?
5-amino-3-(2,2-difluoroethyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 233.22 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2,2-difluoroethyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63799940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).