5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine

C20H16N4O2 — CID 169050262

IUPAC5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine
SMILESCOc1ccc2c(-c3cncnc3)c(OC)ccc2c1-c1cncnc1
InChIInChI=1S/C20H16N4O2/c1-25-17-5-3-16-15(19(17)13-7-21-11-22-8-13)4-6-18(26-2)20(16)14-9-23-12-24-10-14/h3-12H,1-2H3
InChIKeyWXEIXSYWUPDWNU-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.77
Rot. Bonds4

About 5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine

5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine (PubChem CID 169050262) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine
PubChem CID169050262
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine
SMILESCOc1ccc2c(-c3cncnc3)c(OC)ccc2c1-c1cncnc1
InChIInChI=1S/C20H16N4O2/c1-25-17-5-3-16-15(19(17)13-7-21-11-22-8-13)4-6-18(26-2)20(16)14-9-23-12-24-10-14/h3-12H,1-2H3
InChIKeyWXEIXSYWUPDWNU-UHFFFAOYSA-N
XLogP3.77
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine (CID 169050262) is 5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine is COc1ccc2c(-c3cncnc3)c(OC)ccc2c1-c1cncnc1.
What is the InChIKey of 5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine?
The InChIKey is WXEIXSYWUPDWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-25-17-5-3-16-15(19(17)13-7-21-11-22-8-13)4-6-18(26-2)20(16)14-9-23-12-24-10-14/h3-12H,1-2H3.
What are the key properties of 5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine?
5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine has a molecular weight of 344.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 169050262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).