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

C14H16FN5O2 — CID 165128784

IUPAC5-[5-(3-fluoropiperidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCCC(F)C1
InChIInChI=1S/C14H16FN5O2/c1-8-12(20-4-2-3-9(15)7-20)5-11(19-18-8)10-6-16-14(22)17-13(10)21/h5-6,9H,2-4,7H2,1H3,(H2,16,17,21,22)
InChIKeyVZORMSPIUWCVSF-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.77
Rot. Bonds2

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

5-[5-(3-fluoropiperidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 165128784) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is 5-[5-(3-fluoropiperidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(3-fluoropiperidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID165128784
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC Name5-[5-(3-fluoropiperidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCCC(F)C1
InChIInChI=1S/C14H16FN5O2/c1-8-12(20-4-2-3-9(15)7-20)5-11(19-18-8)10-6-16-14(22)17-13(10)21/h5-6,9H,2-4,7H2,1H3,(H2,16,17,21,22)
InChIKeyVZORMSPIUWCVSF-UHFFFAOYSA-N
XLogP0.77
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-fluoropiperidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-(3-fluoropiperidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 165128784) is 5-[5-(3-fluoropiperidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-(3-fluoropiperidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-(3-fluoropiperidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCCC(F)C1.
What is the InChIKey of 5-[5-(3-fluoropiperidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is VZORMSPIUWCVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c1-8-12(20-4-2-3-9(15)7-20)5-11(19-18-8)10-6-16-14(22)17-13(10)21/h5-6,9H,2-4,7H2,1H3,(H2,16,17,21,22).
What are the key properties of 5-[5-(3-fluoropiperidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-(3-fluoropiperidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 305.31 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-fluoropiperidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 165128784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).