2-(6-anilinopyrimidin-4-yl)-4,5-dichloropyridazin-3-one

C14H9Cl2N5O — CID 15944232

IUPAC2-(6-anilinopyrimidin-4-yl)-4,5-dichloropyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C14H9Cl2N5O/c15-10-7-19-21(14(22)13(10)16)12-6-11(17-8-18-12)20-9-4-2-1-3-5-9/h1-8H,(H,17,18,20)
InChIKeyDPFCLRAVPGONHQ-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.07
Rot. Bonds3

About 2-(6-anilinopyrimidin-4-yl)-4,5-dichloropyridazin-3-one

2-(6-anilinopyrimidin-4-yl)-4,5-dichloropyridazin-3-one (PubChem CID 15944232) has the molecular formula C14H9Cl2N5O and a molecular weight of 334.17 g/mol. Its IUPAC name is 2-(6-anilinopyrimidin-4-yl)-4,5-dichloropyridazin-3-one.

Molecular Properties

Compound Name2-(6-anilinopyrimidin-4-yl)-4,5-dichloropyridazin-3-one
PubChem CID15944232
Molecular FormulaC14H9Cl2N5O
Molecular Weight334.17 g/mol
Exact Mass333.02
IUPAC Name2-(6-anilinopyrimidin-4-yl)-4,5-dichloropyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C14H9Cl2N5O/c15-10-7-19-21(14(22)13(10)16)12-6-11(17-8-18-12)20-9-4-2-1-3-5-9/h1-8H,(H,17,18,20)
InChIKeyDPFCLRAVPGONHQ-UHFFFAOYSA-N
XLogP3.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dichloro-2-[4-[2-(3-chloroanilino)-4-pyridinyl]-2-pyridinyl]pyridazin-3-one
CID 18452603
1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone
CID 15944231
4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one
CID 79823096
4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one
CID 2798199
6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
CID 86673656
1-[1-[6-(4-chloroanilino)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 4899452
4,5-dichloro-2-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]pyridazin-3-one
CID 11841809
1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
4-N-phenylpyrimidine-4,6-diamine
CID 3031502
N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863373
4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 7064019
1-[1-[6-(4-methoxyanilino)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 4972505

Frequently Asked Questions

What is the IUPAC name of 2-(6-anilinopyrimidin-4-yl)-4,5-dichloropyridazin-3-one?
The IUPAC name of 2-(6-anilinopyrimidin-4-yl)-4,5-dichloropyridazin-3-one (CID 15944232) is 2-(6-anilinopyrimidin-4-yl)-4,5-dichloropyridazin-3-one.
What is the SMILES notation for 2-(6-anilinopyrimidin-4-yl)-4,5-dichloropyridazin-3-one?
The canonical SMILES for 2-(6-anilinopyrimidin-4-yl)-4,5-dichloropyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1cc(Nc2ccccc2)ncn1.
What is the InChIKey of 2-(6-anilinopyrimidin-4-yl)-4,5-dichloropyridazin-3-one?
The InChIKey is DPFCLRAVPGONHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5O/c15-10-7-19-21(14(22)13(10)16)12-6-11(17-8-18-12)20-9-4-2-1-3-5-9/h1-8H,(H,17,18,20).
What are the key properties of 2-(6-anilinopyrimidin-4-yl)-4,5-dichloropyridazin-3-one?
2-(6-anilinopyrimidin-4-yl)-4,5-dichloropyridazin-3-one has a molecular weight of 334.17 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-anilinopyrimidin-4-yl)-4,5-dichloropyridazin-3-one is sourced from PubChem (CID 15944232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).