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

C19H25N5 — CID 2943620

IUPAC4-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide
SMILESCc1cc(C)nc(N=C(N)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H25N5/c1-14-12-15(2)22-19(21-14)23-18(20)24-10-8-17(9-11-24)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyWFROMEGOURCVLP-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.99
Rot. Bonds3

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

4-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide (PubChem CID 2943620) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide
PubChem CID2943620
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name4-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide
SMILESCc1cc(C)nc(N=C(N)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H25N5/c1-14-12-15(2)22-19(21-14)23-18(20)24-10-8-17(9-11-24)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyWFROMEGOURCVLP-UHFFFAOYSA-N
XLogP2.99
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.99
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 4-benzyl-N'-(4,6-dimethylpyrimidin-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

4-benzyl-N'-[4,5-bis(4-methoxyphenyl)pyrimidin-2-yl]piperidine-1-carboximidamide
CID 67907806
3-benzyl-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724782
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone
CID 133342486
N'-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methylpiperidine-1-carboximidamide
CID 111549361
(2R)-1-(4-benzylpiperidin-1-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutan-1-one
CID 97265009
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
(4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 44822917
4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 112909489
3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 154795486
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
N-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine
CID 143961031

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide?
The IUPAC name of 4-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide (CID 2943620) is 4-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide?
The canonical SMILES for 4-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide is Cc1cc(C)nc(N=C(N)N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide?
The InChIKey is WFROMEGOURCVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-14-12-15(2)22-19(21-14)23-18(20)24-10-8-17(9-11-24)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide?
4-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide has a molecular weight of 323.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide is sourced from PubChem (CID 2943620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).