2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide

C18H24IN5 — CID 120913703

IUPAC2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
SMILESCc1cc(C/N=C(\N)Nc2cccc3c2CCCC3)nc(C)n1.I
InChIInChI=1S/C18H23N5.HI/c1-12-10-15(22-13(2)21-12)11-20-18(19)23-17-9-5-7-14-6-3-4-8-16(14)17;/h5,7,9-10H,3-4,6,8,11H2,1-2H3,(H3,19,20,23);1H
InChIKeyLRUFQNKNLFCKQL-UHFFFAOYSA-N
MW437.33 g/mol
LogP3.52
Rot. Bonds3

About 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide

2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide (PubChem CID 120913703) has the molecular formula C18H24IN5 and a molecular weight of 437.33 g/mol. Its IUPAC name is 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
PubChem CID120913703
Molecular FormulaC18H24IN5
Molecular Weight437.33 g/mol
Exact Mass437.11
IUPAC Name2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
SMILESCc1cc(C/N=C(\N)Nc2cccc3c2CCCC3)nc(C)n1.I
InChIInChI=1S/C18H23N5.HI/c1-12-10-15(22-13(2)21-12)11-20-18(19)23-17-9-5-7-14-6-3-4-8-16(14)17;/h5,7,9-10H,3-4,6,8,11H2,1-2H3,(H3,19,20,23);1H
InChIKeyLRUFQNKNLFCKQL-UHFFFAOYSA-N
XLogP3.52
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 53.52
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(2,6-dimethyl-4-pyridinyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 122101566
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721400
2-[(4-ethyl-2-pyridinyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 120671939
2-[2-(6-methyl-2-pyridinyl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 120662500
2-[2-(5-methylpyrazin-2-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 122098435
2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 119145911
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 119142365
1-(2,6-diethylphenyl)-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 120913671
2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine
CID 120913688
2-(isoquinolin-1-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720826
2-pent-3-enyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111813693
2-[[4-(dimethylamino)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720749

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The IUPAC name of 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide (CID 120913703) is 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The canonical SMILES for 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide is Cc1cc(C/N=C(\N)Nc2cccc3c2CCCC3)nc(C)n1.I.
What is the InChIKey of 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The InChIKey is LRUFQNKNLFCKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5.HI/c1-12-10-15(22-13(2)21-12)11-20-18(19)23-17-9-5-7-14-6-3-4-8-16(14)17;/h5,7,9-10H,3-4,6,8,11H2,1-2H3,(H3,19,20,23);1H.
What are the key properties of 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide has a molecular weight of 437.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide is sourced from PubChem (CID 120913703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).