1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine

C13H22N6 — CID 86814436

IUPAC1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine
SMILESC/N=C(\NC)NCC1CCCN(c2ncccn2)C1
InChIInChI=1S/C13H22N6/c1-14-12(15-2)18-9-11-5-3-8-19(10-11)13-16-6-4-7-17-13/h4,6-7,11H,3,5,8-10H2,1-2H3,(H2,14,15,18)
InChIKeyRCQUGPJKORSMQF-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.49
Rot. Bonds3

About 1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine

1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine (PubChem CID 86814436) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine
PubChem CID86814436
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine
SMILESC/N=C(\NC)NCC1CCCN(c2ncccn2)C1
InChIInChI=1S/C13H22N6/c1-14-12(15-2)18-9-11-5-3-8-19(10-11)13-16-6-4-7-17-13/h4,6-7,11H,3,5,8-10H2,1-2H3,(H2,14,15,18)
InChIKeyRCQUGPJKORSMQF-UHFFFAOYSA-N
XLogP0.49
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.49
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'}

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Related Compounds

1,2-dimethyl-3-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]guanidine
CID 97160556
1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine
CID 86781884
1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
CID 119153839
1,2-dimethyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 110916701
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
CID 90652236
N-(cyclopropylmethyl)-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205321
N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide
CID 99715561
4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 90649799
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 90648732
N-methyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazin-2-amine
CID 110095069
1,2-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 110927945

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine?
The IUPAC name of 1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine (CID 86814436) is 1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine?
The canonical SMILES for 1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine is C/N=C(\NC)NCC1CCCN(c2ncccn2)C1.
What is the InChIKey of 1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine?
The InChIKey is RCQUGPJKORSMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-14-12(15-2)18-9-11-5-3-8-19(10-11)13-16-6-4-7-17-13/h4,6-7,11H,3,5,8-10H2,1-2H3,(H2,14,15,18).
What are the key properties of 1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine?
1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine has a molecular weight of 262.36 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine is sourced from PubChem (CID 86814436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).