1-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methylphenyl)methyl]guanidine

C15H19N5 — CID 3124456

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methylphenyl)methyl]guanidine
SMILESCc1ccc(C/N=C(\N)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C15H19N5/c1-10-4-6-13(7-5-10)9-17-14(16)20-15-18-11(2)8-12(3)19-15/h4-8H,9H2,1-3H3,(H3,16,17,18,19,20)
InChIKeyYXSUMTZEYLAKDC-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.33
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methylphenyl)methyl]guanidine

1-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methylphenyl)methyl]guanidine (PubChem CID 3124456) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methylphenyl)methyl]guanidine
PubChem CID3124456
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methylphenyl)methyl]guanidine
SMILESCc1ccc(C/N=C(\N)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C15H19N5/c1-10-4-6-13(7-5-10)9-17-14(16)20-15-18-11(2)8-12(3)19-15/h4-8H,9H2,1-3H3,(H3,16,17,18,19,20)
InChIKeyYXSUMTZEYLAKDC-UHFFFAOYSA-N
XLogP2.33
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
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 1-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methylphenyl)methyl]guanidine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methylphenyl)methyl]guanidine (CID 3124456) is 1-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methylphenyl)methyl]guanidine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methylphenyl)methyl]guanidine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methylphenyl)methyl]guanidine is Cc1ccc(C/N=C(\N)Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methylphenyl)methyl]guanidine?
The InChIKey is YXSUMTZEYLAKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-10-4-6-13(7-5-10)9-17-14(16)20-15-18-11(2)8-12(3)19-15/h4-8H,9H2,1-3H3,(H3,16,17,18,19,20).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methylphenyl)methyl]guanidine?
1-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methylphenyl)methyl]guanidine has a molecular weight of 269.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methylphenyl)methyl]guanidine is sourced from PubChem (CID 3124456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).