methyl 4,6-diphenylpyrimidine-2-carboxylate

C18H14N2O2 — CID 15555898

IUPACmethyl 4,6-diphenylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C18H14N2O2/c1-22-18(21)17-19-15(13-8-4-2-5-9-13)12-16(20-17)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyMDVRBBIOQAQSBT-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.60
Rot. Bonds3

About methyl 4,6-diphenylpyrimidine-2-carboxylate

methyl 4,6-diphenylpyrimidine-2-carboxylate (PubChem CID 15555898) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 4,6-diphenylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-diphenylpyrimidine-2-carboxylate
PubChem CID15555898
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Namemethyl 4,6-diphenylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C18H14N2O2/c1-22-18(21)17-19-15(13-8-4-2-5-9-13)12-16(20-17)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyMDVRBBIOQAQSBT-UHFFFAOYSA-N
XLogP3.60
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4,6-diphenylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4,6-diphenylpyrimidine-2-carboxylate (CID 15555898) is methyl 4,6-diphenylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4,6-diphenylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4,6-diphenylpyrimidine-2-carboxylate is COC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of methyl 4,6-diphenylpyrimidine-2-carboxylate?
The InChIKey is MDVRBBIOQAQSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-22-18(21)17-19-15(13-8-4-2-5-9-13)12-16(20-17)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of methyl 4,6-diphenylpyrimidine-2-carboxylate?
methyl 4,6-diphenylpyrimidine-2-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-diphenylpyrimidine-2-carboxylate is sourced from PubChem (CID 15555898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).