5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide

C19H16N4O3 — CID 90341537

IUPAC5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide
SMILESNC(=O)c1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H16N4O3/c20-16(24)17-21-11-14(19(26)23-17)18(25)22-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,15H,(H2,20,24)(H,22,25)(H,21,23,26)
InChIKeyMWYUQYPCZVYZFA-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.39
Rot. Bonds5

About 5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide

5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide (PubChem CID 90341537) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide
PubChem CID90341537
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide
SMILESNC(=O)c1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H16N4O3/c20-16(24)17-21-11-14(19(26)23-17)18(25)22-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,15H,(H2,20,24)(H,22,25)(H,21,23,26)
InChIKeyMWYUQYPCZVYZFA-UHFFFAOYSA-N
XLogP1.39
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide?
The IUPAC name of 5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide (CID 90341537) is 5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide?
The canonical SMILES for 5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide is NC(=O)c1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide?
The InChIKey is MWYUQYPCZVYZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c20-16(24)17-21-11-14(19(26)23-17)18(25)22-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,15H,(H2,20,24)(H,22,25)(H,21,23,26).
What are the key properties of 5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide?
5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide has a molecular weight of 348.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide is sourced from PubChem (CID 90341537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).