1-benzyl-4-(benzylamino)-5-methylpyrimidin-2-one

C19H19N3O — CID 155560175

IUPAC1-benzyl-4-(benzylamino)-5-methylpyrimidin-2-one
SMILESCc1cn(Cc2ccccc2)c(=O)nc1NCc1ccccc1
InChIInChI=1S/C19H19N3O/c1-15-13-22(14-17-10-6-3-7-11-17)19(23)21-18(15)20-12-16-8-4-2-5-9-16/h2-11,13H,12,14H2,1H3,(H,20,21,23)
InChIKeyNSBNPBGFWZGBFO-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.21
Rot. Bonds5

About 1-benzyl-4-(benzylamino)-5-methylpyrimidin-2-one

1-benzyl-4-(benzylamino)-5-methylpyrimidin-2-one (PubChem CID 155560175) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-benzyl-4-(benzylamino)-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(benzylamino)-5-methylpyrimidin-2-one
PubChem CID155560175
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-benzyl-4-(benzylamino)-5-methylpyrimidin-2-one
SMILESCc1cn(Cc2ccccc2)c(=O)nc1NCc1ccccc1
InChIInChI=1S/C19H19N3O/c1-15-13-22(14-17-10-6-3-7-11-17)19(23)21-18(15)20-12-16-8-4-2-5-9-16/h2-11,13H,12,14H2,1H3,(H,20,21,23)
InChIKeyNSBNPBGFWZGBFO-UHFFFAOYSA-N
XLogP3.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(benzylamino)-5-methylpyrimidin-2-one?
The IUPAC name of 1-benzyl-4-(benzylamino)-5-methylpyrimidin-2-one (CID 155560175) is 1-benzyl-4-(benzylamino)-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-benzyl-4-(benzylamino)-5-methylpyrimidin-2-one?
The canonical SMILES for 1-benzyl-4-(benzylamino)-5-methylpyrimidin-2-one is Cc1cn(Cc2ccccc2)c(=O)nc1NCc1ccccc1.
What is the InChIKey of 1-benzyl-4-(benzylamino)-5-methylpyrimidin-2-one?
The InChIKey is NSBNPBGFWZGBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-15-13-22(14-17-10-6-3-7-11-17)19(23)21-18(15)20-12-16-8-4-2-5-9-16/h2-11,13H,12,14H2,1H3,(H,20,21,23).
What are the key properties of 1-benzyl-4-(benzylamino)-5-methylpyrimidin-2-one?
1-benzyl-4-(benzylamino)-5-methylpyrimidin-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(benzylamino)-5-methylpyrimidin-2-one is sourced from PubChem (CID 155560175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).