1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride

C8H11ClN6O2 — CID 67122724

IUPAC1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride
SMILESC/N=C(\N)NCc1[nH]c(=O)[nH]c(=O)c1C#N.Cl
InChIInChI=1S/C8H10N6O2.ClH/c1-11-7(10)12-3-5-4(2-9)6(15)14-8(16)13-5;/h3H2,1H3,(H3,10,11,12)(H2,13,14,15,16);1H
InChIKeyLTBVGRIQSIIEDZ-UHFFFAOYSA-N
MW258.67 g/mol
LogP-1.61
Rot. Bonds2

About 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride

1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride (PubChem CID 67122724) has the molecular formula C8H11ClN6O2 and a molecular weight of 258.67 g/mol. Its IUPAC name is 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride.

Molecular Properties

Compound Name1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride
PubChem CID67122724
Molecular FormulaC8H11ClN6O2
Molecular Weight258.67 g/mol
Exact Mass258.06
IUPAC Name1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride
SMILESC/N=C(\N)NCc1[nH]c(=O)[nH]c(=O)c1C#N.Cl
InChIInChI=1S/C8H10N6O2.ClH/c1-11-7(10)12-3-5-4(2-9)6(15)14-8(16)13-5;/h3H2,1H3,(H3,10,11,12)(H2,13,14,15,16);1H
InChIKeyLTBVGRIQSIIEDZ-UHFFFAOYSA-N
XLogP-1.61
TPSA139.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.67
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride?
The IUPAC name of 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride (CID 67122724) is 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride.
What is the SMILES notation for 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride?
The canonical SMILES for 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride is C/N=C(\N)NCc1[nH]c(=O)[nH]c(=O)c1C#N.Cl.
What is the InChIKey of 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride?
The InChIKey is LTBVGRIQSIIEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2.ClH/c1-11-7(10)12-3-5-4(2-9)6(15)14-8(16)13-5;/h3H2,1H3,(H3,10,11,12)(H2,13,14,15,16);1H.
What are the key properties of 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride?
1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride has a molecular weight of 258.67 g/mol, XLogP of -1.61, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine;hydrochloride is sourced from PubChem (CID 67122724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).