1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione

C17H15ClN4O4 — CID 174222572

IUPAC1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)ccn(-c3ccc(Cl)nn3)c2=O)c(OC)c1
InChIInChI=1S/C17H15ClN4O4/c1-25-12-4-3-11(13(9-12)26-2)10-22-16(23)7-8-21(17(22)24)15-6-5-14(18)19-20-15/h3-9H,10H2,1-2H3
InChIKeyPZQSBXPHZGPZIL-UHFFFAOYSA-N
MW374.78 g/mol
LogP1.51
Rot. Bonds5

About 1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione

1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 174222572) has the molecular formula C17H15ClN4O4 and a molecular weight of 374.78 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID174222572
Molecular FormulaC17H15ClN4O4
Molecular Weight374.78 g/mol
Exact Mass374.08
IUPAC Name1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)ccn(-c3ccc(Cl)nn3)c2=O)c(OC)c1
InChIInChI=1S/C17H15ClN4O4/c1-25-12-4-3-11(13(9-12)26-2)10-22-16(23)7-8-21(17(22)24)15-6-5-14(18)19-20-15/h3-9H,10H2,1-2H3
InChIKeyPZQSBXPHZGPZIL-UHFFFAOYSA-N
XLogP1.51
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one
CID 171795802
3-chloro-1-[(2,4-dimethoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione
CID 174236060
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine-6,7-dione
CID 154663192
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411
3-chloro-6-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyrazine
CID 178141497
3,4-dichloro-1-[(2,4-dimethoxyphenyl)methoxy]pyridin-2-one
CID 162343397
5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484405
4-[(2,4-dimethoxyphenyl)methyl]-7-(3-fluoropropyl)pyrido[2,3-c]carbazol-3-one
CID 90459585
6-chloro-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine
CID 71817812
2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-5-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 167430782
3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 56771696

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione (CID 174222572) is 1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione is COc1ccc(Cn2c(=O)ccn(-c3ccc(Cl)nn3)c2=O)c(OC)c1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is PZQSBXPHZGPZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4/c1-25-12-4-3-11(13(9-12)26-2)10-22-16(23)7-8-21(17(22)24)15-6-5-14(18)19-20-15/h3-9H,10H2,1-2H3.
What are the key properties of 1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione?
1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 374.78 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 174222572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).