4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine

C19H14N2O2 — CID 3825639

IUPAC4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine
SMILESCc1ccccc1Oc1ncnc2oc(-c3ccccc3)cc12
InChIInChI=1S/C19H14N2O2/c1-13-7-5-6-10-16(13)22-18-15-11-17(14-8-3-2-4-9-14)23-19(15)21-12-20-18/h2-12H,1H3
InChIKeyATKPLDDGMIKJMB-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.99
Rot. Bonds3

About 4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine

4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine (PubChem CID 3825639) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine
PubChem CID3825639
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine
SMILESCc1ccccc1Oc1ncnc2oc(-c3ccccc3)cc12
InChIInChI=1S/C19H14N2O2/c1-13-7-5-6-10-16(13)22-18-15-11-17(14-8-3-2-4-9-14)23-19(15)21-12-20-18/h2-12H,1H3
InChIKeyATKPLDDGMIKJMB-UHFFFAOYSA-N
XLogP4.99
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine?
The IUPAC name of 4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine (CID 3825639) is 4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine is Cc1ccccc1Oc1ncnc2oc(-c3ccccc3)cc12.
What is the InChIKey of 4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine?
The InChIKey is ATKPLDDGMIKJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-13-7-5-6-10-16(13)22-18-15-11-17(14-8-3-2-4-9-14)23-19(15)21-12-20-18/h2-12H,1H3.
What are the key properties of 4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine?
4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine has a molecular weight of 302.33 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine is sourced from PubChem (CID 3825639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).