1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine

C14H23N5 — CID 120913740

IUPAC1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine
SMILESCc1cc(C/N=C(\N)NC2CCCCC2)nc(C)n1
InChIInChI=1S/C14H23N5/c1-10-8-13(18-11(2)17-10)9-16-14(15)19-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H3,15,16,19)
InChIKeyUDWYSMSOKNOKCU-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.83
Rot. Bonds3

About 1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine

1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine (PubChem CID 120913740) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine
PubChem CID120913740
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine
SMILESCc1cc(C/N=C(\N)NC2CCCCC2)nc(C)n1
InChIInChI=1S/C14H23N5/c1-10-8-13(18-11(2)17-10)9-16-14(15)19-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H3,15,16,19)
InChIKeyUDWYSMSOKNOKCU-UHFFFAOYSA-N
XLogP1.83
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.83
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'}

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Related Compounds

1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096466
1-cyclohexyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119120615
1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111817540
1-cyclobutyl-2-[(4-iodo-3-methylphenyl)methyl]guanidine
CID 122095889
1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
CID 119164307
1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine
CID 122082759
1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 119147857
1-cyclopentyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine
CID 62369717
1-cyclohexyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 78931877
1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine
CID 122082620
1-cyclohexyl-2-ethylguanidine
CID 18727697
2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 120913703

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine (CID 120913740) is 1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine is Cc1cc(C/N=C(\N)NC2CCCCC2)nc(C)n1.
What is the InChIKey of 1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine?
The InChIKey is UDWYSMSOKNOKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10-8-13(18-11(2)17-10)9-16-14(15)19-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H3,15,16,19).
What are the key properties of 1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine?
1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine has a molecular weight of 261.37 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine is sourced from PubChem (CID 120913740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).