5-methyl-2,4-bis(4-methylphenoxy)pyrimidine

C19H18N2O2 — CID 3008443

IUPAC5-methyl-2,4-bis(4-methylphenoxy)pyrimidine
SMILESCc1ccc(Oc2ncc(C)c(Oc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H18N2O2/c1-13-4-8-16(9-5-13)22-18-15(3)12-20-19(21-18)23-17-10-6-14(2)7-11-17/h4-12H,1-3H3
InChIKeyUILACSJYYLCHNX-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.99
Rot. Bonds4

About 5-methyl-2,4-bis(4-methylphenoxy)pyrimidine

5-methyl-2,4-bis(4-methylphenoxy)pyrimidine (PubChem CID 3008443) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-methyl-2,4-bis(4-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name5-methyl-2,4-bis(4-methylphenoxy)pyrimidine
PubChem CID3008443
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name5-methyl-2,4-bis(4-methylphenoxy)pyrimidine
SMILESCc1ccc(Oc2ncc(C)c(Oc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H18N2O2/c1-13-4-8-16(9-5-13)22-18-15(3)12-20-19(21-18)23-17-10-6-14(2)7-11-17/h4-12H,1-3H3
InChIKeyUILACSJYYLCHNX-UHFFFAOYSA-N
XLogP4.99
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-bis(4-methylphenoxy)pyrimidine?
The IUPAC name of 5-methyl-2,4-bis(4-methylphenoxy)pyrimidine (CID 3008443) is 5-methyl-2,4-bis(4-methylphenoxy)pyrimidine.
What is the SMILES notation for 5-methyl-2,4-bis(4-methylphenoxy)pyrimidine?
The canonical SMILES for 5-methyl-2,4-bis(4-methylphenoxy)pyrimidine is Cc1ccc(Oc2ncc(C)c(Oc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 5-methyl-2,4-bis(4-methylphenoxy)pyrimidine?
The InChIKey is UILACSJYYLCHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-4-8-16(9-5-13)22-18-15(3)12-20-19(21-18)23-17-10-6-14(2)7-11-17/h4-12H,1-3H3.
What are the key properties of 5-methyl-2,4-bis(4-methylphenoxy)pyrimidine?
5-methyl-2,4-bis(4-methylphenoxy)pyrimidine has a molecular weight of 306.37 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-bis(4-methylphenoxy)pyrimidine is sourced from PubChem (CID 3008443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).