2,4-bis(4-methylphenoxy)pyrimidine

C18H16N2O2 — CID 3008437

IUPAC2,4-bis(4-methylphenoxy)pyrimidine
SMILESCc1ccc(Oc2ccnc(Oc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C18H16N2O2/c1-13-3-7-15(8-4-13)21-17-11-12-19-18(20-17)22-16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKeyRFXVMKCSFSKMFQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.68
Rot. Bonds4

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

2,4-bis(4-methylphenoxy)pyrimidine (PubChem CID 3008437) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2,4-bis(4-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name2,4-bis(4-methylphenoxy)pyrimidine
PubChem CID3008437
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2,4-bis(4-methylphenoxy)pyrimidine
SMILESCc1ccc(Oc2ccnc(Oc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C18H16N2O2/c1-13-3-7-15(8-4-13)21-17-11-12-19-18(20-17)22-16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKeyRFXVMKCSFSKMFQ-UHFFFAOYSA-N
XLogP4.68
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methylphenoxy)pyrimidine?
The IUPAC name of 2,4-bis(4-methylphenoxy)pyrimidine (CID 3008437) is 2,4-bis(4-methylphenoxy)pyrimidine.
What is the SMILES notation for 2,4-bis(4-methylphenoxy)pyrimidine?
The canonical SMILES for 2,4-bis(4-methylphenoxy)pyrimidine is Cc1ccc(Oc2ccnc(Oc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-methylphenoxy)pyrimidine?
The InChIKey is RFXVMKCSFSKMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-3-7-15(8-4-13)21-17-11-12-19-18(20-17)22-16-9-5-14(2)6-10-16/h3-12H,1-2H3.
What are the key properties of 2,4-bis(4-methylphenoxy)pyrimidine?
2,4-bis(4-methylphenoxy)pyrimidine has a molecular weight of 292.34 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methylphenoxy)pyrimidine is sourced from PubChem (CID 3008437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).