4-N,6-N-dibenzylpyrimidine-4,6-dicarboxamide

C20H18N4O2 — CID 15052873

IUPAC4-N,6-N-dibenzylpyrimidine-4,6-dicarboxamide
SMILESO=C(NCc1ccccc1)c1cc(C(=O)NCc2ccccc2)ncn1
InChIInChI=1S/C20H18N4O2/c25-19(21-12-15-7-3-1-4-8-15)17-11-18(24-14-23-17)20(26)22-13-16-9-5-2-6-10-16/h1-11,14H,12-13H2,(H,21,25)(H,22,26)
InChIKeyWIUCYEOLRGUYEH-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.34
Rot. Bonds6

About 4-N,6-N-dibenzylpyrimidine-4,6-dicarboxamide

4-N,6-N-dibenzylpyrimidine-4,6-dicarboxamide (PubChem CID 15052873) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-N,6-N-dibenzylpyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name4-N,6-N-dibenzylpyrimidine-4,6-dicarboxamide
PubChem CID15052873
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-N,6-N-dibenzylpyrimidine-4,6-dicarboxamide
SMILESO=C(NCc1ccccc1)c1cc(C(=O)NCc2ccccc2)ncn1
InChIInChI=1S/C20H18N4O2/c25-19(21-12-15-7-3-1-4-8-15)17-11-18(24-14-23-17)20(26)22-13-16-9-5-2-6-10-16/h1-11,14H,12-13H2,(H,21,25)(H,22,26)
InChIKeyWIUCYEOLRGUYEH-UHFFFAOYSA-N
XLogP2.34
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dibenzylpyrimidine-4,6-dicarboxamide?
The IUPAC name of 4-N,6-N-dibenzylpyrimidine-4,6-dicarboxamide (CID 15052873) is 4-N,6-N-dibenzylpyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 4-N,6-N-dibenzylpyrimidine-4,6-dicarboxamide?
The canonical SMILES for 4-N,6-N-dibenzylpyrimidine-4,6-dicarboxamide is O=C(NCc1ccccc1)c1cc(C(=O)NCc2ccccc2)ncn1.
What is the InChIKey of 4-N,6-N-dibenzylpyrimidine-4,6-dicarboxamide?
The InChIKey is WIUCYEOLRGUYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-19(21-12-15-7-3-1-4-8-15)17-11-18(24-14-23-17)20(26)22-13-16-9-5-2-6-10-16/h1-11,14H,12-13H2,(H,21,25)(H,22,26).
What are the key properties of 4-N,6-N-dibenzylpyrimidine-4,6-dicarboxamide?
4-N,6-N-dibenzylpyrimidine-4,6-dicarboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dibenzylpyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 15052873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).