5-[(2,6-dichlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one

C17H13Cl2N3O — CID 135448155

IUPAC5-[(2,6-dichlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H13Cl2N3O/c1-10-11(9-12-13(18)5-4-6-14(12)19)17(23)22-16(21-10)15-7-2-3-8-20-15/h2-8H,9H2,1H3,(H,21,22,23)
InChIKeyOBGQAOHMIOPUEX-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.04
Rot. Bonds3

About 5-[(2,6-dichlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one

5-[(2,6-dichlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 135448155) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2,6-dichlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID135448155
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name5-[(2,6-dichlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H13Cl2N3O/c1-10-11(9-12-13(18)5-4-6-14(12)19)17(23)22-16(21-10)15-7-2-3-8-20-15/h2-8H,9H2,1H3,(H,21,22,23)
InChIKeyOBGQAOHMIOPUEX-UHFFFAOYSA-N
XLogP4.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2,6-dichlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 135448155) is 5-[(2,6-dichlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2,6-dichlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2,6-dichlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one is Cc1nc(-c2ccccn2)[nH]c(=O)c1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 5-[(2,6-dichlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is OBGQAOHMIOPUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c1-10-11(9-12-13(18)5-4-6-14(12)19)17(23)22-16(21-10)15-7-2-3-8-20-15/h2-8H,9H2,1H3,(H,21,22,23).
What are the key properties of 5-[(2,6-dichlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
5-[(2,6-dichlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 346.22 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135448155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).