N'-(4,6-dimethylpyrimidin-2-yl)-4-methylpiperidine-1-carboximidamide

C13H21N5 — CID 3137919

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-4-methylpiperidine-1-carboximidamide
SMILESCc1cc(C)nc(N=C(N)N2CCC(C)CC2)n1
InChIInChI=1S/C13H21N5/c1-9-4-6-18(7-5-9)12(14)17-13-15-10(2)8-11(3)16-13/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeySAKNIJABYNFZRE-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.77
Rot. Bonds1

About N'-(4,6-dimethylpyrimidin-2-yl)-4-methylpiperidine-1-carboximidamide

N'-(4,6-dimethylpyrimidin-2-yl)-4-methylpiperidine-1-carboximidamide (PubChem CID 3137919) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-4-methylpiperidine-1-carboximidamide
PubChem CID3137919
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-4-methylpiperidine-1-carboximidamide
SMILESCc1cc(C)nc(N=C(N)N2CCC(C)CC2)n1
InChIInChI=1S/C13H21N5/c1-9-4-6-18(7-5-9)12(14)17-13-15-10(2)8-11(3)16-13/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeySAKNIJABYNFZRE-UHFFFAOYSA-N
XLogP1.77
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(4,6-dimethylpyrimidin-2-yl)-4-methylpiperidine-1-carboximidamide 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 N'-(4,6-dimethylpyrimidin-2-yl)-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-4-methylpiperidine-1-carboximidamide (CID 3137919) is N'-(4,6-dimethylpyrimidin-2-yl)-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-4-methylpiperidine-1-carboximidamide is Cc1cc(C)nc(N=C(N)N2CCC(C)CC2)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-4-methylpiperidine-1-carboximidamide?
The InChIKey is SAKNIJABYNFZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9-4-6-18(7-5-9)12(14)17-13-15-10(2)8-11(3)16-13/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-4-methylpiperidine-1-carboximidamide?
N'-(4,6-dimethylpyrimidin-2-yl)-4-methylpiperidine-1-carboximidamide has a molecular weight of 247.35 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 3137919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).