5-fluoro-1-propylpyrimidine-2,4-dione

C7H9FN2O2 — CID 14118340

IUPAC5-fluoro-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H9FN2O2/c1-2-3-10-4-5(8)6(11)9-7(10)12/h4H,2-3H2,1H3,(H,9,11,12)
InChIKeyJNHKBDWOCSLXNG-UHFFFAOYSA-N
MW172.16 g/mol
LogP0.09
Rot. Bonds2

About 5-fluoro-1-propylpyrimidine-2,4-dione

5-fluoro-1-propylpyrimidine-2,4-dione (PubChem CID 14118340) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 5-fluoro-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-propylpyrimidine-2,4-dione
PubChem CID14118340
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name5-fluoro-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H9FN2O2/c1-2-3-10-4-5(8)6(11)9-7(10)12/h4H,2-3H2,1H3,(H,9,11,12)
InChIKeyJNHKBDWOCSLXNG-UHFFFAOYSA-N
XLogP0.09
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluorouracil
CID 3385
Carmofur
CID 2577
3-Methyluracil
CID 79066
1-Methyluracil
CID 12009
1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
1-Ethyluracil
CID 4183135
5-Fluoro-1,3-dimethyluracil
CID 342609
Stk771272
CID 4015329
6-Amino-1-propyluracil
CID 104562
5-Iodo-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 619776
5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654966

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-propylpyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-propylpyrimidine-2,4-dione (CID 14118340) is 5-fluoro-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-propylpyrimidine-2,4-dione is CCCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-propylpyrimidine-2,4-dione?
The InChIKey is JNHKBDWOCSLXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-2-3-10-4-5(8)6(11)9-7(10)12/h4H,2-3H2,1H3,(H,9,11,12).
What are the key properties of 5-fluoro-1-propylpyrimidine-2,4-dione?
5-fluoro-1-propylpyrimidine-2,4-dione has a molecular weight of 172.16 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 14118340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).