6-(dibenzylamino)-1H-pyrimidin-2-one

C18H17N3O — CID 178065927

IUPAC6-(dibenzylamino)-1H-pyrimidin-2-one
SMILESO=c1nccc(N(Cc2ccccc2)Cc2ccccc2)[nH]1
InChIInChI=1S/C18H17N3O/c22-18-19-12-11-17(20-18)21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,19,20,22)
InChIKeyKLUKZDQLTVMYDA-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.98
Rot. Bonds5

About 6-(dibenzylamino)-1H-pyrimidin-2-one

6-(dibenzylamino)-1H-pyrimidin-2-one (PubChem CID 178065927) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-(dibenzylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(dibenzylamino)-1H-pyrimidin-2-one
PubChem CID178065927
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name6-(dibenzylamino)-1H-pyrimidin-2-one
SMILESO=c1nccc(N(Cc2ccccc2)Cc2ccccc2)[nH]1
InChIInChI=1S/C18H17N3O/c22-18-19-12-11-17(20-18)21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,19,20,22)
InChIKeyKLUKZDQLTVMYDA-UHFFFAOYSA-N
XLogP2.98
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(dibenzylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(dibenzylamino)-1H-pyrimidin-2-one (CID 178065927) is 6-(dibenzylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(dibenzylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(dibenzylamino)-1H-pyrimidin-2-one is O=c1nccc(N(Cc2ccccc2)Cc2ccccc2)[nH]1.
What is the InChIKey of 6-(dibenzylamino)-1H-pyrimidin-2-one?
The InChIKey is KLUKZDQLTVMYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18-19-12-11-17(20-18)21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,19,20,22).
What are the key properties of 6-(dibenzylamino)-1H-pyrimidin-2-one?
6-(dibenzylamino)-1H-pyrimidin-2-one has a molecular weight of 291.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dibenzylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 178065927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).