1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide

C15H25IN6 — CID 119153839

IUPAC1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
SMILESC/N=C(\NC1CCC1)NC1CCCN(c2ncccn2)C1.I
InChIInChI=1S/C15H24N6.HI/c1-16-14(19-12-5-2-6-12)20-13-7-3-10-21(11-13)15-17-8-4-9-18-15;/h4,8-9,12-13H,2-3,5-7,10-11H2,1H3,(H2,16,19,20);1H
InChIKeyCRJDMNNQQJGGHF-UHFFFAOYSA-N
MW416.31 g/mol
LogP1.78
Rot. Bonds3

About 1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide

1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide (PubChem CID 119153839) has the molecular formula C15H25IN6 and a molecular weight of 416.31 g/mol. Its IUPAC name is 1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
PubChem CID119153839
Molecular FormulaC15H25IN6
Molecular Weight416.31 g/mol
Exact Mass416.12
IUPAC Name1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
SMILESC/N=C(\NC1CCC1)NC1CCCN(c2ncccn2)C1.I
InChIInChI=1S/C15H24N6.HI/c1-16-14(19-12-5-2-6-12)20-13-7-3-10-21(11-13)15-17-8-4-9-18-15;/h4,8-9,12-13H,2-3,5-7,10-11H2,1H3,(H2,16,19,20);1H
InChIKeyCRJDMNNQQJGGHF-UHFFFAOYSA-N
XLogP1.78
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide 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

1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
CID 119161997
1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
CID 119161993
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
2-amino-2-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 60866816
1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine
CID 86814436
1,2-dimethyl-3-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]guanidine
CID 97160556
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide
CID 43712323
N-cyclohexyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728828
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide?
The IUPAC name of 1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide (CID 119153839) is 1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide is C/N=C(\NC1CCC1)NC1CCCN(c2ncccn2)C1.I.
What is the InChIKey of 1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide?
The InChIKey is CRJDMNNQQJGGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6.HI/c1-16-14(19-12-5-2-6-12)20-13-7-3-10-21(11-13)15-17-8-4-9-18-15;/h4,8-9,12-13H,2-3,5-7,10-11H2,1H3,(H2,16,19,20);1H.
What are the key properties of 1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide?
1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide has a molecular weight of 416.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide is sourced from PubChem (CID 119153839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).