2-(methoxymethyl)-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine

C23H20N4O — CID 15314730

IUPAC2-(methoxymethyl)-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine
SMILESCOCc1nc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(C)n2)n1
InChIInChI=1S/C23H20N4O/c1-16-24-19(17-9-5-3-6-10-17)13-21(25-16)22-14-20(18-11-7-4-8-12-18)26-23(27-22)15-28-2/h3-14H,15H2,1-2H3
InChIKeyBYEUUPOQZGWVLA-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.72
Rot. Bonds5

About 2-(methoxymethyl)-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine

2-(methoxymethyl)-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine (PubChem CID 15314730) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine
PubChem CID15314730
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-(methoxymethyl)-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine
SMILESCOCc1nc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(C)n2)n1
InChIInChI=1S/C23H20N4O/c1-16-24-19(17-9-5-3-6-10-17)13-21(25-16)22-14-20(18-11-7-4-8-12-18)26-23(27-22)15-28-2/h3-14H,15H2,1-2H3
InChIKeyBYEUUPOQZGWVLA-UHFFFAOYSA-N
XLogP4.72
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine (CID 15314730) is 2-(methoxymethyl)-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine is COCc1nc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(C)n2)n1.
What is the InChIKey of 2-(methoxymethyl)-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine?
The InChIKey is BYEUUPOQZGWVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-16-24-19(17-9-5-3-6-10-17)13-21(25-16)22-14-20(18-11-7-4-8-12-18)26-23(27-22)15-28-2/h3-14H,15H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine?
2-(methoxymethyl)-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine has a molecular weight of 368.44 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine is sourced from PubChem (CID 15314730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).