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'}

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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).