6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione

C10H16FN3O2 — CID 67562026

IUPAC6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione
SMILESCCCn1c(=O)cc(CCC(N)F)[nH]c1=O
InChIInChI=1S/C10H16FN3O2/c1-2-5-14-9(15)6-7(13-10(14)16)3-4-8(11)12/h6,8H,2-5,12H2,1H3,(H,13,16)
InChIKeyOEMCZCOSPJKLMB-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.13
Rot. Bonds5

About 6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione

6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione (PubChem CID 67562026) has the molecular formula C10H16FN3O2 and a molecular weight of 229.25 g/mol. Its IUPAC name is 6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione
PubChem CID67562026
Molecular FormulaC10H16FN3O2
Molecular Weight229.25 g/mol
Exact Mass229.12
IUPAC Name6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione
SMILESCCCn1c(=O)cc(CCC(N)F)[nH]c1=O
InChIInChI=1S/C10H16FN3O2/c1-2-5-14-9(15)6-7(13-10(14)16)3-4-8(11)12/h6,8H,2-5,12H2,1H3,(H,13,16)
InChIKeyOEMCZCOSPJKLMB-UHFFFAOYSA-N
XLogP0.13
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione (CID 67562026) is 6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione is CCCn1c(=O)cc(CCC(N)F)[nH]c1=O.
What is the InChIKey of 6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is OEMCZCOSPJKLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2/c1-2-5-14-9(15)6-7(13-10(14)16)3-4-8(11)12/h6,8H,2-5,12H2,1H3,(H,13,16).
What are the key properties of 6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione?
6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 229.25 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67562026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).