3-(2,6-dichlorophenyl)-2-methyl-6-phenylmethoxypyrimidin-4-one

C18H14Cl2N2O2 — CID 21090100

IUPAC3-(2,6-dichlorophenyl)-2-methyl-6-phenylmethoxypyrimidin-4-one
SMILESCc1nc(OCc2ccccc2)cc(=O)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C18H14Cl2N2O2/c1-12-21-16(24-11-13-6-3-2-4-7-13)10-17(23)22(12)18-14(19)8-5-9-15(18)20/h2-10H,11H2,1H3
InChIKeyIFMQKUNWDUKECP-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.43
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-2-methyl-6-phenylmethoxypyrimidin-4-one

3-(2,6-dichlorophenyl)-2-methyl-6-phenylmethoxypyrimidin-4-one (PubChem CID 21090100) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-methyl-6-phenylmethoxypyrimidin-4-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-methyl-6-phenylmethoxypyrimidin-4-one
PubChem CID21090100
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name3-(2,6-dichlorophenyl)-2-methyl-6-phenylmethoxypyrimidin-4-one
SMILESCc1nc(OCc2ccccc2)cc(=O)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C18H14Cl2N2O2/c1-12-21-16(24-11-13-6-3-2-4-7-13)10-17(23)22(12)18-14(19)8-5-9-15(18)20/h2-10H,11H2,1H3
InChIKeyIFMQKUNWDUKECP-UHFFFAOYSA-N
XLogP4.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-methyl-6-phenylmethoxypyrimidin-4-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-methyl-6-phenylmethoxypyrimidin-4-one (CID 21090100) is 3-(2,6-dichlorophenyl)-2-methyl-6-phenylmethoxypyrimidin-4-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-methyl-6-phenylmethoxypyrimidin-4-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-methyl-6-phenylmethoxypyrimidin-4-one is Cc1nc(OCc2ccccc2)cc(=O)n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-methyl-6-phenylmethoxypyrimidin-4-one?
The InChIKey is IFMQKUNWDUKECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-12-21-16(24-11-13-6-3-2-4-7-13)10-17(23)22(12)18-14(19)8-5-9-15(18)20/h2-10H,11H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-2-methyl-6-phenylmethoxypyrimidin-4-one?
3-(2,6-dichlorophenyl)-2-methyl-6-phenylmethoxypyrimidin-4-one has a molecular weight of 361.23 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-methyl-6-phenylmethoxypyrimidin-4-one is sourced from PubChem (CID 21090100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).