4,6-bis(phenylmethoxy)pyrimidine

C18H16N2O2 — CID 42553068

IUPAC4,6-bis(phenylmethoxy)pyrimidine
SMILESc1ccc(COc2cc(OCc3ccccc3)ncn2)cc1
InChIInChI=1S/C18H16N2O2/c1-3-7-15(8-4-1)12-21-17-11-18(20-14-19-17)22-13-16-9-5-2-6-10-16/h1-11,14H,12-13H2
InChIKeyWFHVBLJSKBEUKF-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.63
Rot. Bonds6

About 4,6-bis(phenylmethoxy)pyrimidine

4,6-bis(phenylmethoxy)pyrimidine (PubChem CID 42553068) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4,6-bis(phenylmethoxy)pyrimidine.

Molecular Properties

Compound Name4,6-bis(phenylmethoxy)pyrimidine
PubChem CID42553068
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4,6-bis(phenylmethoxy)pyrimidine
SMILESc1ccc(COc2cc(OCc3ccccc3)ncn2)cc1
InChIInChI=1S/C18H16N2O2/c1-3-7-15(8-4-1)12-21-17-11-18(20-14-19-17)22-13-16-9-5-2-6-10-16/h1-11,14H,12-13H2
InChIKeyWFHVBLJSKBEUKF-UHFFFAOYSA-N
XLogP3.63
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-6-(2-prop-2-enylphenoxy)pyrimidine-2-ylamine
CID 686101
4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine
CID 155548365
2,4-Bis(benzyloxy)-5-bromopyrimidine
CID 256039
6-(Benzyloxy)pyrimidine-2,4-diamine
CID 10130617
4-N-methyl-6-phenylmethoxypyrimidine-2,4-diamine
CID 80858380
1-[4,6-Bis(phenylmethoxy)pyrimidin-5-yl]ethanol
CID 2865233
4-[2-(4-Fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine
CID 164673350
6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 166626361
6-[2-(4-fluorophenyl)ethoxy]-N,N-dimethylpyrimidin-4-amine
CID 166628299
1-[6-[2-(4-Fluorophenyl)ethoxy]pyrimidin-4-yl]azepane
CID 166628525
4-[2-(4-Fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine
CID 166629336
4-[6-[2-(4-Fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine
CID 166632801

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(phenylmethoxy)pyrimidine?
The IUPAC name of 4,6-bis(phenylmethoxy)pyrimidine (CID 42553068) is 4,6-bis(phenylmethoxy)pyrimidine.
What is the SMILES notation for 4,6-bis(phenylmethoxy)pyrimidine?
The canonical SMILES for 4,6-bis(phenylmethoxy)pyrimidine is c1ccc(COc2cc(OCc3ccccc3)ncn2)cc1.
What is the InChIKey of 4,6-bis(phenylmethoxy)pyrimidine?
The InChIKey is WFHVBLJSKBEUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-3-7-15(8-4-1)12-21-17-11-18(20-14-19-17)22-13-16-9-5-2-6-10-16/h1-11,14H,12-13H2.
What are the key properties of 4,6-bis(phenylmethoxy)pyrimidine?
4,6-bis(phenylmethoxy)pyrimidine has a molecular weight of 292.34 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(phenylmethoxy)pyrimidine is sourced from PubChem (CID 42553068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).