1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine

C8H14N6 — CID 116510819

IUPAC1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine
SMILESC/N=C(\NN)NCc1ccnc(C)n1
InChIInChI=1S/C8H14N6/c1-6-11-4-3-7(13-6)5-12-8(10-2)14-9/h3-4H,5,9H2,1-2H3,(H2,10,12,14)
InChIKeyZRSZODNYSBNILU-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.68
Rot. Bonds2

About 1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine

1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine (PubChem CID 116510819) has the molecular formula C8H14N6 and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine
PubChem CID116510819
Molecular FormulaC8H14N6
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine
SMILESC/N=C(\NN)NCc1ccnc(C)n1
InChIInChI=1S/C8H14N6/c1-6-11-4-3-7(13-6)5-12-8(10-2)14-9/h3-4H,5,9H2,1-2H3,(H2,10,12,14)
InChIKeyZRSZODNYSBNILU-UHFFFAOYSA-N
XLogP-0.68
TPSA88.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine?
The IUPAC name of 1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine (CID 116510819) is 1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine?
The canonical SMILES for 1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine is C/N=C(\NN)NCc1ccnc(C)n1.
What is the InChIKey of 1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine?
The InChIKey is ZRSZODNYSBNILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6/c1-6-11-4-3-7(13-6)5-12-8(10-2)14-9/h3-4H,5,9H2,1-2H3,(H2,10,12,14).
What are the key properties of 1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine?
1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine has a molecular weight of 194.24 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine is sourced from PubChem (CID 116510819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).