4-methyl-5-[2-[[6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]oxy]ethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one

C22H20N6O3 — CID 146396122

IUPAC4-methyl-5-[2-[[6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]oxy]ethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2cccc(OCCc3c(C)nc(-c4ccccn4)[nH]c3=O)n2)n1
InChIInChI=1S/C22H20N6O3/c1-13-12-18(29)27-21(24-13)17-7-5-8-19(26-17)31-11-9-15-14(2)25-20(28-22(15)30)16-6-3-4-10-23-16/h3-8,10,12H,9,11H2,1-2H3,(H,24,27,29)(H,25,28,30)
InChIKeyYZEBFNMMWBVQLH-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.22
Rot. Bonds6

About 4-methyl-5-[2-[[6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]oxy]ethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one

4-methyl-5-[2-[[6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]oxy]ethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 146396122) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 4-methyl-5-[2-[[6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]oxy]ethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-[2-[[6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]oxy]ethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID146396122
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name4-methyl-5-[2-[[6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]oxy]ethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2cccc(OCCc3c(C)nc(-c4ccccn4)[nH]c3=O)n2)n1
InChIInChI=1S/C22H20N6O3/c1-13-12-18(29)27-21(24-13)17-7-5-8-19(26-17)31-11-9-15-14(2)25-20(28-22(15)30)16-6-3-4-10-23-16/h3-8,10,12H,9,11H2,1-2H3,(H,24,27,29)(H,25,28,30)
InChIKeyYZEBFNMMWBVQLH-UHFFFAOYSA-N
XLogP2.22
TPSA126.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[[6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]oxy]ethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-[2-[[6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]oxy]ethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 146396122) is 4-methyl-5-[2-[[6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]oxy]ethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-[2-[[6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]oxy]ethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-[2-[[6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]oxy]ethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-c2cccc(OCCc3c(C)nc(-c4ccccn4)[nH]c3=O)n2)n1.
What is the InChIKey of 4-methyl-5-[2-[[6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]oxy]ethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is YZEBFNMMWBVQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c1-13-12-18(29)27-21(24-13)17-7-5-8-19(26-17)31-11-9-15-14(2)25-20(28-22(15)30)16-6-3-4-10-23-16/h3-8,10,12H,9,11H2,1-2H3,(H,24,27,29)(H,25,28,30).
What are the key properties of 4-methyl-5-[2-[[6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]oxy]ethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
4-methyl-5-[2-[[6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]oxy]ethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 416.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[[6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]oxy]ethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 146396122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).