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

C11H21N5 — CID 176545634

IUPACN-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide
SMILES[H]/N=C(/NC1=NCCC(C)N1)N1CCCCC1
InChIInChI=1S/C11H21N5/c1-9-5-6-13-11(14-9)15-10(12)16-7-3-2-4-8-16/h9H,2-8H2,1H3,(H3,12,13,14,15)
InChIKeyJGTBGISQQOZNCN-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.73
Rot. Bonds

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

N-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide (PubChem CID 176545634) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide
PubChem CID176545634
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide
SMILES[H]/N=C(/NC1=NCCC(C)N1)N1CCCCC1
InChIInChI=1S/C11H21N5/c1-9-5-6-13-11(14-9)15-10(12)16-7-3-2-4-8-16/h9H,2-8H2,1H3,(H3,12,13,14,15)
InChIKeyJGTBGISQQOZNCN-UHFFFAOYSA-N
XLogP0.73
TPSA63.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide?
The IUPAC name of N-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide (CID 176545634) is N-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide.
What is the SMILES notation for N-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide?
The canonical SMILES for N-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide is [H]/N=C(/NC1=NCCC(C)N1)N1CCCCC1.
What is the InChIKey of N-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide?
The InChIKey is JGTBGISQQOZNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-9-5-6-13-11(14-9)15-10(12)16-7-3-2-4-8-16/h9H,2-8H2,1H3,(H3,12,13,14,15).
What are the key properties of N-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide?
N-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide has a molecular weight of 223.32 g/mol, XLogP of 0.73, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-1-carboximidamide is sourced from PubChem (CID 176545634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).