2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine

C20H21N5O — CID 135433238

IUPAC2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine
SMILESCc1cccc(N/C(N)=N/c2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c1
InChIInChI=1S/C20H21N5O/c1-13-7-6-10-16(11-13)23-19(21)25-20-22-14(2)17(18(26)24-20)12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H4,21,22,23,24,25,26)
InChIKeyZPERLHBRRCPJLJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.04
Rot. Bonds4

About 2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine

2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine (PubChem CID 135433238) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine.

Molecular Properties

Compound Name2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine
PubChem CID135433238
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine
SMILESCc1cccc(N/C(N)=N/c2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c1
InChIInChI=1S/C20H21N5O/c1-13-7-6-10-16(11-13)23-19(21)25-20-22-14(2)17(18(26)24-20)12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H4,21,22,23,24,25,26)
InChIKeyZPERLHBRRCPJLJ-UHFFFAOYSA-N
XLogP3.04
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine?
The IUPAC name of 2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine (CID 135433238) is 2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine.
What is the SMILES notation for 2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine?
The canonical SMILES for 2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine is Cc1cccc(N/C(N)=N/c2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c1.
What is the InChIKey of 2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine?
The InChIKey is ZPERLHBRRCPJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-7-6-10-16(11-13)23-19(21)25-20-22-14(2)17(18(26)24-20)12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H4,21,22,23,24,25,26).
What are the key properties of 2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine?
2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine has a molecular weight of 347.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine is sourced from PubChem (CID 135433238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).