N'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide

C11H21N5 — CID 121358430

IUPACN'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide
SMILESCC1CN=C(/N=C(\N)N2CCCCC2)NC1
InChIInChI=1S/C11H21N5/c1-9-7-13-11(14-8-9)15-10(12)16-5-3-2-4-6-16/h9H,2-8H2,1H3,(H3,12,13,14,15)
InChIKeyWVVUIOUCAFXBCM-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.38
Rot. Bonds

About N'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide

N'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide (PubChem CID 121358430) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide
PubChem CID121358430
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide
SMILESCC1CN=C(/N=C(\N)N2CCCCC2)NC1
InChIInChI=1S/C11H21N5/c1-9-7-13-11(14-8-9)15-10(12)16-5-3-2-4-6-16/h9H,2-8H2,1H3,(H3,12,13,14,15)
InChIKeyWVVUIOUCAFXBCM-UHFFFAOYSA-N
XLogP0.38
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.38
H-Bond Donors ≤ 52
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'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-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

Related Compounds

2-Methyl-1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471113
2-Methyl-1-[[1-(2-methylpropyl)piperidin-3-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471589
1-Ethyl-2-[(1-methylpiperidin-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472033
1-[3-(3,5-Dimethylpiperidin-1-yl)propyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109472869
1-Ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472881
1-Ethyl-2-(2-methyl-3-piperidin-1-ylpropyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473160
1-Ethyl-2-(2-methyl-3-piperidin-1-ylpropyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 109473161
1-Ethyl-2-[3-(3-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109473411
2-Methyl-1-(2-methyl-3-piperidin-1-ylpropyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474102
2-Methyl-1-(2-methyl-3-piperidin-1-ylpropyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 109474103
2-Methyl-1-[(1-methylpiperidin-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109475037
N-ethyl-3-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide
CID 111143896

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide?
The IUPAC name of N'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide (CID 121358430) is N'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide is CC1CN=C(/N=C(\N)N2CCCCC2)NC1.
What is the InChIKey of N'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide?
The InChIKey is WVVUIOUCAFXBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-9-7-13-11(14-8-9)15-10(12)16-5-3-2-4-6-16/h9H,2-8H2,1H3,(H3,12,13,14,15).
What are the key properties of N'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide?
N'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide has a molecular weight of 223.32 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide is sourced from PubChem (CID 121358430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).