2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine

C12H21N7 — CID 606306

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine
SMILESCc1cc(C)nc(N=C(N)NN2CCN(C)CC2)n1
InChIInChI=1S/C12H21N7/c1-9-8-10(2)15-12(14-9)16-11(13)17-19-6-4-18(3)5-7-19/h8H,4-7H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyJTZQFAZTFCIINH-UHFFFAOYSA-N
MW263.35 g/mol
LogP-0.21
Rot. Bonds2

About 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine

2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine (PubChem CID 606306) has the molecular formula C12H21N7 and a molecular weight of 263.35 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine
PubChem CID606306
Molecular FormulaC12H21N7
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine
SMILESCc1cc(C)nc(N=C(N)NN2CCN(C)CC2)n1
InChIInChI=1S/C12H21N7/c1-9-8-10(2)15-12(14-9)16-11(13)17-19-6-4-18(3)5-7-19/h8H,4-7H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyJTZQFAZTFCIINH-UHFFFAOYSA-N
XLogP-0.21
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine with MolForge

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

Launch Full Analysis

Related Compounds

2-Hydrazinyl-4,6-dimethylpyrimidine
CID 350535
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
1-(4,6-Dimethyl-2-pyrimidyl)piperazine
CID 2758651
N-(cyclopentylideneamino)-4,6-dimethylpyrimidin-2-amine
CID 4124270
1-(4,6-Dimethylpyrimidin-2-yl)-2-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)hydrazine iodide
CID 16195954
1-[(4,6-Dimethylpyrimidin-2-yl)amino]-3-methylthiourea
CID 1257397
2-Amino-4-piperidino-6-methylpyrimidine
CID 748221
N,N-diethyl-4,6-dimethylpyrimidin-2-amine
CID 4181181
1-(5,5-Dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)hydrazine iodide
CID 16195955
N-(4,6-dimethylpyrimidin-2-yl)azepane-1-carboximidamide
CID 5763035
1,1-Dibutyl-3-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 9567379
N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 795372

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine (CID 606306) is 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine is Cc1cc(C)nc(N=C(N)NN2CCN(C)CC2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine?
The InChIKey is JTZQFAZTFCIINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7/c1-9-8-10(2)15-12(14-9)16-11(13)17-19-6-4-18(3)5-7-19/h8H,4-7H2,1-3H3,(H3,13,14,15,16,17).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine?
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine has a molecular weight of 263.35 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine is sourced from PubChem (CID 606306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).