5-[5-(3,3-difluorocyclopentyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione

C14H14F2N4O3 — CID 147082511

IUPAC5-[5-(3,3-difluorocyclopentyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CCC(F)(F)C1
InChIInChI=1S/C14H14F2N4O3/c1-23-12-8(7-2-3-14(15,16)5-7)4-10(19-20-12)9-6-17-13(22)18-11(9)21/h4,6-7H,2-3,5H2,1H3,(H2,17,18,21,22)
InChIKeyBHEYFJTYNBJVLL-UHFFFAOYSA-N
MW324.29 g/mol
LogP1.43
Rot. Bonds3

About 5-[5-(3,3-difluorocyclopentyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[5-(3,3-difluorocyclopentyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 147082511) has the molecular formula C14H14F2N4O3 and a molecular weight of 324.29 g/mol. Its IUPAC name is 5-[5-(3,3-difluorocyclopentyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(3,3-difluorocyclopentyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID147082511
Molecular FormulaC14H14F2N4O3
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC Name5-[5-(3,3-difluorocyclopentyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CCC(F)(F)C1
InChIInChI=1S/C14H14F2N4O3/c1-23-12-8(7-2-3-14(15,16)5-7)4-10(19-20-12)9-6-17-13(22)18-11(9)21/h4,6-7H,2-3,5H2,1H3,(H2,17,18,21,22)
InChIKeyBHEYFJTYNBJVLL-UHFFFAOYSA-N
XLogP1.43
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,3-difluorocyclopentyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-(3,3-difluorocyclopentyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 147082511) is 5-[5-(3,3-difluorocyclopentyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-(3,3-difluorocyclopentyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-(3,3-difluorocyclopentyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione is COc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CCC(F)(F)C1.
What is the InChIKey of 5-[5-(3,3-difluorocyclopentyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is BHEYFJTYNBJVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O3/c1-23-12-8(7-2-3-14(15,16)5-7)4-10(19-20-12)9-6-17-13(22)18-11(9)21/h4,6-7H,2-3,5H2,1H3,(H2,17,18,21,22).
What are the key properties of 5-[5-(3,3-difluorocyclopentyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-(3,3-difluorocyclopentyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 324.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,3-difluorocyclopentyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 147082511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).