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

C18H15ClN2O2 — CID 12559160

IUPAC4-chloro-2,6-bis(phenylmethoxy)pyrimidine
SMILESClc1cc(OCc2ccccc2)nc(OCc2ccccc2)n1
InChIInChI=1S/C18H15ClN2O2/c19-16-11-17(22-12-14-7-3-1-4-8-14)21-18(20-16)23-13-15-9-5-2-6-10-15/h1-11H,12-13H2
InChIKeyBHHDDCRCEQHMEA-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.29
Rot. Bonds6

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

4-chloro-2,6-bis(phenylmethoxy)pyrimidine (PubChem CID 12559160) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 4-chloro-2,6-bis(phenylmethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2,6-bis(phenylmethoxy)pyrimidine
PubChem CID12559160
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name4-chloro-2,6-bis(phenylmethoxy)pyrimidine
SMILESClc1cc(OCc2ccccc2)nc(OCc2ccccc2)n1
InChIInChI=1S/C18H15ClN2O2/c19-16-11-17(22-12-14-7-3-1-4-8-14)21-18(20-16)23-13-15-9-5-2-6-10-15/h1-11H,12-13H2
InChIKeyBHHDDCRCEQHMEA-UHFFFAOYSA-N
XLogP4.29
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-bis(phenylmethoxy)pyrimidine?
The IUPAC name of 4-chloro-2,6-bis(phenylmethoxy)pyrimidine (CID 12559160) is 4-chloro-2,6-bis(phenylmethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2,6-bis(phenylmethoxy)pyrimidine?
The canonical SMILES for 4-chloro-2,6-bis(phenylmethoxy)pyrimidine is Clc1cc(OCc2ccccc2)nc(OCc2ccccc2)n1.
What is the InChIKey of 4-chloro-2,6-bis(phenylmethoxy)pyrimidine?
The InChIKey is BHHDDCRCEQHMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-16-11-17(22-12-14-7-3-1-4-8-14)21-18(20-16)23-13-15-9-5-2-6-10-15/h1-11H,12-13H2.
What are the key properties of 4-chloro-2,6-bis(phenylmethoxy)pyrimidine?
4-chloro-2,6-bis(phenylmethoxy)pyrimidine has a molecular weight of 326.78 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-bis(phenylmethoxy)pyrimidine is sourced from PubChem (CID 12559160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).