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

C22H19N5O3 — CID 166934799

IUPAC5-[5-[4-[(4-methoxyphenyl)methyl]-2-pyridinyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(Cc2ccnc(-c3cc(-c4c[nH]c(=O)[nH]c4=O)nnc3C)c2)cc1
InChIInChI=1S/C22H19N5O3/c1-13-17(11-20(27-26-13)18-12-24-22(29)25-21(18)28)19-10-15(7-8-23-19)9-14-3-5-16(30-2)6-4-14/h3-8,10-12H,9H2,1-2H3,(H2,24,25,28,29)
InChIKeyZTKFAPPOAOODBR-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.49
Rot. Bonds5

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

5-[5-[4-[(4-methoxyphenyl)methyl]-2-pyridinyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 166934799) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 5-[5-[4-[(4-methoxyphenyl)methyl]-2-pyridinyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[4-[(4-methoxyphenyl)methyl]-2-pyridinyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID166934799
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name5-[5-[4-[(4-methoxyphenyl)methyl]-2-pyridinyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(Cc2ccnc(-c3cc(-c4c[nH]c(=O)[nH]c4=O)nnc3C)c2)cc1
InChIInChI=1S/C22H19N5O3/c1-13-17(11-20(27-26-13)18-12-24-22(29)25-21(18)28)19-10-15(7-8-23-19)9-14-3-5-16(30-2)6-4-14/h3-8,10-12H,9H2,1-2H3,(H2,24,25,28,29)
InChIKeyZTKFAPPOAOODBR-UHFFFAOYSA-N
XLogP2.49
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[5-[4-[(4-methoxyphenyl)methyl]-2-pyridinyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 162433974
6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]pyridazine-3-carbonitrile
CID 169288688
5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione
CID 21077558
5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128800
6-[(4-methoxyphenyl)methyl]-1H-quinolin-2-one
CID 70082190
N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110851663
4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene
CID 58598667
N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 155753629
3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one
CID 135476904
5-[(4-methoxyphenyl)methyl]-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135547375
2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol
CID 123143670
5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 117106835

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-[(4-methoxyphenyl)methyl]-2-pyridinyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-[4-[(4-methoxyphenyl)methyl]-2-pyridinyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 166934799) is 5-[5-[4-[(4-methoxyphenyl)methyl]-2-pyridinyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-[4-[(4-methoxyphenyl)methyl]-2-pyridinyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-[4-[(4-methoxyphenyl)methyl]-2-pyridinyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is COc1ccc(Cc2ccnc(-c3cc(-c4c[nH]c(=O)[nH]c4=O)nnc3C)c2)cc1.
What is the InChIKey of 5-[5-[4-[(4-methoxyphenyl)methyl]-2-pyridinyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is ZTKFAPPOAOODBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-13-17(11-20(27-26-13)18-12-24-22(29)25-21(18)28)19-10-15(7-8-23-19)9-14-3-5-16(30-2)6-4-14/h3-8,10-12H,9H2,1-2H3,(H2,24,25,28,29).
What are the key properties of 5-[5-[4-[(4-methoxyphenyl)methyl]-2-pyridinyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-[4-[(4-methoxyphenyl)methyl]-2-pyridinyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 401.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-[(4-methoxyphenyl)methyl]-2-pyridinyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 166934799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).