3-(3-fluoropropyl)-5-iodo-1-methylpyrimidine-2,4-dione

C8H10FIN2O2 — CID 81110881

IUPAC3-(3-fluoropropyl)-5-iodo-1-methylpyrimidine-2,4-dione
SMILESCn1cc(I)c(=O)n(CCCF)c1=O
InChIInChI=1S/C8H10FIN2O2/c1-11-5-6(10)7(13)12(8(11)14)4-2-3-9/h5H,2-4H2,1H3
InChIKeyHZQJNZSKOMSYQQ-UHFFFAOYSA-N
MW312.08 g/mol
LogP0.51
Rot. Bonds3

About 3-(3-fluoropropyl)-5-iodo-1-methylpyrimidine-2,4-dione

3-(3-fluoropropyl)-5-iodo-1-methylpyrimidine-2,4-dione (PubChem CID 81110881) has the molecular formula C8H10FIN2O2 and a molecular weight of 312.08 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-5-iodo-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-fluoropropyl)-5-iodo-1-methylpyrimidine-2,4-dione
PubChem CID81110881
Molecular FormulaC8H10FIN2O2
Molecular Weight312.08 g/mol
Exact Mass311.98
IUPAC Name3-(3-fluoropropyl)-5-iodo-1-methylpyrimidine-2,4-dione
SMILESCn1cc(I)c(=O)n(CCCF)c1=O
InChIInChI=1S/C8H10FIN2O2/c1-11-5-6(10)7(13)12(8(11)14)4-2-3-9/h5H,2-4H2,1H3
InChIKeyHZQJNZSKOMSYQQ-UHFFFAOYSA-N
XLogP0.51
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.08
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

CID 342609
CID 342609
CID 622250
CID 622250
CID 598584
CID 598584
CID 698957
CID 698957
CID 10262657
CID 10262657
CID 748595
CID 748595
CID 15579796
CID 15579796
CID 546412
CID 546412
CID 13061632
CID 13061632
CID 748593
CID 748593
CID 748601
CID 748601
CID 1126115
CID 1126115

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)-5-iodo-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-(3-fluoropropyl)-5-iodo-1-methylpyrimidine-2,4-dione (CID 81110881) is 3-(3-fluoropropyl)-5-iodo-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-fluoropropyl)-5-iodo-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-(3-fluoropropyl)-5-iodo-1-methylpyrimidine-2,4-dione is Cn1cc(I)c(=O)n(CCCF)c1=O.
What is the InChIKey of 3-(3-fluoropropyl)-5-iodo-1-methylpyrimidine-2,4-dione?
The InChIKey is HZQJNZSKOMSYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FIN2O2/c1-11-5-6(10)7(13)12(8(11)14)4-2-3-9/h5H,2-4H2,1H3.
What are the key properties of 3-(3-fluoropropyl)-5-iodo-1-methylpyrimidine-2,4-dione?
3-(3-fluoropropyl)-5-iodo-1-methylpyrimidine-2,4-dione has a molecular weight of 312.08 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)-5-iodo-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 81110881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).