1-(3,3-difluoropropyl)-6-hydroxypyrimidine-2,4-dione

C7H8F2N2O3 — CID 131132162

IUPAC1-(3,3-difluoropropyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1cc(O)n(CCC(F)F)c(=O)[nH]1
InChIInChI=1S/C7H8F2N2O3/c8-4(9)1-2-11-6(13)3-5(12)10-7(11)14/h3-4,13H,1-2H2,(H,10,12,14)
InChIKeyNNBFZEYOZOASFA-UHFFFAOYSA-N
MW206.15 g/mol
LogP-0.10
Rot. Bonds3

About 1-(3,3-difluoropropyl)-6-hydroxypyrimidine-2,4-dione

1-(3,3-difluoropropyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 131132162) has the molecular formula C7H8F2N2O3 and a molecular weight of 206.15 g/mol. Its IUPAC name is 1-(3,3-difluoropropyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3,3-difluoropropyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID131132162
Molecular FormulaC7H8F2N2O3
Molecular Weight206.15 g/mol
Exact Mass206.05
IUPAC Name1-(3,3-difluoropropyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1cc(O)n(CCC(F)F)c(=O)[nH]1
InChIInChI=1S/C7H8F2N2O3/c8-4(9)1-2-11-6(13)3-5(12)10-7(11)14/h3-4,13H,1-2H2,(H,10,12,14)
InChIKeyNNBFZEYOZOASFA-UHFFFAOYSA-N
XLogP-0.10
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Amino-1-propyluracil
CID 104562
Acetamide, 2,2,2-trifluoro-N-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-
CID 342904
6-Hydroxy-3-(2-methylpropyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 1526966
2,6-Dihydroxy-3-methyl-3,4-dihydropyrimidin-4-one
CID 736435
1-Cyclopropyl-1,3-diazinane-2,4,6-trione
CID 121598038
1-(Difluoromethyl)pyrimidine-2,4-dione
CID 21297853
6-Amino-1-(4-fluorobutyl)-2,4(1h,3h)-pyrimidinedione
CID 21958581
6-amino-3-(3-fluoropropyl)-1H-pyrimidine-2,4-dione
CID 53638319
1-(2,2-Difluoroethyl)pyrimidine-2,4-dione
CID 63811698
1-(2,2,2-trifluoroethyl)pyrimidine-2,4(1H,3H)-dione
CID 63812371
1-Ethyl-6-fluoropyrimidine-2,4-dione
CID 68169852
1-(3-Fluoropropyl)pyrimidine-2,4-dione
CID 81113442

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropropyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(3,3-difluoropropyl)-6-hydroxypyrimidine-2,4-dione (CID 131132162) is 1-(3,3-difluoropropyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(3,3-difluoropropyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(3,3-difluoropropyl)-6-hydroxypyrimidine-2,4-dione is O=c1cc(O)n(CCC(F)F)c(=O)[nH]1.
What is the InChIKey of 1-(3,3-difluoropropyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is NNBFZEYOZOASFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O3/c8-4(9)1-2-11-6(13)3-5(12)10-7(11)14/h3-4,13H,1-2H2,(H,10,12,14).
What are the key properties of 1-(3,3-difluoropropyl)-6-hydroxypyrimidine-2,4-dione?
1-(3,3-difluoropropyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 206.15 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropropyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 131132162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).