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

C10H16FN3O2 — CID 81107206

IUPAC5-amino-3-(3-fluoropropyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)n(CCCF)c1=O
InChIInChI=1S/C10H16FN3O2/c1-2-5-13-7-8(12)9(15)14(10(13)16)6-3-4-11/h7H,2-6,12H2,1H3
InChIKeyBGRGNYGPGXCROK-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.36
Rot. Bonds5

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

5-amino-3-(3-fluoropropyl)-1-propylpyrimidine-2,4-dione (PubChem CID 81107206) has the molecular formula C10H16FN3O2 and a molecular weight of 229.25 g/mol. Its IUPAC name is 5-amino-3-(3-fluoropropyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-(3-fluoropropyl)-1-propylpyrimidine-2,4-dione
PubChem CID81107206
Molecular FormulaC10H16FN3O2
Molecular Weight229.25 g/mol
Exact Mass229.12
IUPAC Name5-amino-3-(3-fluoropropyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)n(CCCF)c1=O
InChIInChI=1S/C10H16FN3O2/c1-2-5-13-7-8(12)9(15)14(10(13)16)6-3-4-11/h7H,2-6,12H2,1H3
InChIKeyBGRGNYGPGXCROK-UHFFFAOYSA-N
XLogP0.36
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-fluoropropyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-3-(3-fluoropropyl)-1-propylpyrimidine-2,4-dione (CID 81107206) is 5-amino-3-(3-fluoropropyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-3-(3-fluoropropyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-3-(3-fluoropropyl)-1-propylpyrimidine-2,4-dione is CCCn1cc(N)c(=O)n(CCCF)c1=O.
What is the InChIKey of 5-amino-3-(3-fluoropropyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is BGRGNYGPGXCROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2/c1-2-5-13-7-8(12)9(15)14(10(13)16)6-3-4-11/h7H,2-6,12H2,1H3.
What are the key properties of 5-amino-3-(3-fluoropropyl)-1-propylpyrimidine-2,4-dione?
5-amino-3-(3-fluoropropyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 229.25 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-fluoropropyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 81107206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).