4-(2-phenylethyl)-2,6-bis(phenylmethoxy)pyrimidine

C26H24N2O2 — CID 25131894

IUPAC4-(2-phenylethyl)-2,6-bis(phenylmethoxy)pyrimidine
SMILESc1ccc(CCc2cc(OCc3ccccc3)nc(OCc3ccccc3)n2)cc1
InChIInChI=1S/C26H24N2O2/c1-4-10-21(11-5-1)16-17-24-18-25(29-19-22-12-6-2-7-13-22)28-26(27-24)30-20-23-14-8-3-9-15-23/h1-15,18H,16-17,19-20H2
InChIKeyNOWAMJGKHKRTJD-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.42
Rot. Bonds9

About 4-(2-phenylethyl)-2,6-bis(phenylmethoxy)pyrimidine

4-(2-phenylethyl)-2,6-bis(phenylmethoxy)pyrimidine (PubChem CID 25131894) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-(2-phenylethyl)-2,6-bis(phenylmethoxy)pyrimidine.

Molecular Properties

Compound Name4-(2-phenylethyl)-2,6-bis(phenylmethoxy)pyrimidine
PubChem CID25131894
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name4-(2-phenylethyl)-2,6-bis(phenylmethoxy)pyrimidine
SMILESc1ccc(CCc2cc(OCc3ccccc3)nc(OCc3ccccc3)n2)cc1
InChIInChI=1S/C26H24N2O2/c1-4-10-21(11-5-1)16-17-24-18-25(29-19-22-12-6-2-7-13-22)28-26(27-24)30-20-23-14-8-3-9-15-23/h1-15,18H,16-17,19-20H2
InChIKeyNOWAMJGKHKRTJD-UHFFFAOYSA-N
XLogP5.42
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-2,6-bis(phenylmethoxy)pyrimidine?
The IUPAC name of 4-(2-phenylethyl)-2,6-bis(phenylmethoxy)pyrimidine (CID 25131894) is 4-(2-phenylethyl)-2,6-bis(phenylmethoxy)pyrimidine.
What is the SMILES notation for 4-(2-phenylethyl)-2,6-bis(phenylmethoxy)pyrimidine?
The canonical SMILES for 4-(2-phenylethyl)-2,6-bis(phenylmethoxy)pyrimidine is c1ccc(CCc2cc(OCc3ccccc3)nc(OCc3ccccc3)n2)cc1.
What is the InChIKey of 4-(2-phenylethyl)-2,6-bis(phenylmethoxy)pyrimidine?
The InChIKey is NOWAMJGKHKRTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-4-10-21(11-5-1)16-17-24-18-25(29-19-22-12-6-2-7-13-22)28-26(27-24)30-20-23-14-8-3-9-15-23/h1-15,18H,16-17,19-20H2.
What are the key properties of 4-(2-phenylethyl)-2,6-bis(phenylmethoxy)pyrimidine?
4-(2-phenylethyl)-2,6-bis(phenylmethoxy)pyrimidine has a molecular weight of 396.49 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-2,6-bis(phenylmethoxy)pyrimidine is sourced from PubChem (CID 25131894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).