fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione

C20H22FN5O2 — CID 163274221

IUPACfluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCCCC1.Fc1ccccc1
InChIInChI=1S/C14H17N5O2.C6H5F/c1-9-12(19-5-3-2-4-6-19)7-11(18-17-9)10-8-15-14(21)16-13(10)20;7-6-4-2-1-3-5-6/h7-8H,2-6H2,1H3,(H2,15,16,20,21);1-5H
InChIKeyQFULSUHSFBPGKP-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.64
Rot. Bonds2

About fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione

fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione (PubChem CID 163274221) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Namefluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione
PubChem CID163274221
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Namefluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCCCC1.Fc1ccccc1
InChIInChI=1S/C14H17N5O2.C6H5F/c1-9-12(19-5-3-2-4-6-19)7-11(18-17-9)10-8-15-14(21)16-13(10)20;7-6-4-2-1-3-5-6/h7-8H,2-6H2,1H3,(H2,15,16,20,21);1-5H
InChIKeyQFULSUHSFBPGKP-UHFFFAOYSA-N
XLogP2.64
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione (CID 163274221) is fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCCCC1.Fc1ccccc1.
What is the InChIKey of fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is QFULSUHSFBPGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2.C6H5F/c1-9-12(19-5-3-2-4-6-19)7-11(18-17-9)10-8-15-14(21)16-13(10)20;7-6-4-2-1-3-5-6/h7-8H,2-6H2,1H3,(H2,15,16,20,21);1-5H.
What are the key properties of fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione?
fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 383.43 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163274221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).