2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide

C12H20IN5 — CID 119151764

IUPAC2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCc1ccnc(C)n1)NC1CC1C.I
InChIInChI=1S/C12H19N5.HI/c1-8-6-11(8)17-12(13-3)15-7-10-4-5-14-9(2)16-10;/h4-5,8,11H,6-7H2,1-3H3,(H2,13,15,17);1H
InChIKeyWJTHFXOEICVDBU-UHFFFAOYSA-N
MW361.23 g/mol
LogP1.48
Rot. Bonds3

About 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide

2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide (PubChem CID 119151764) has the molecular formula C12H20IN5 and a molecular weight of 361.23 g/mol. Its IUPAC name is 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
PubChem CID119151764
Molecular FormulaC12H20IN5
Molecular Weight361.23 g/mol
Exact Mass361.08
IUPAC Name2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCc1ccnc(C)n1)NC1CC1C.I
InChIInChI=1S/C12H19N5.HI/c1-8-6-11(8)17-12(13-3)15-7-10-4-5-14-9(2)16-10;/h4-5,8,11H,6-7H2,1-3H3,(H2,13,15,17);1H
InChIKeyWJTHFXOEICVDBU-UHFFFAOYSA-N
XLogP1.48
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 51.48
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

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine
CID 119134140
1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine
CID 116510819
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 109407268
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119140590
2-methyl-1-(2-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111962006
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119163294
2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 119149785
2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 119131200
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962171
1-[(4-bromophenyl)methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111875719
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111960956
2-methyl-1-(2-methylcyclopropyl)-3-[(4-thiomorpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111961556

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide (CID 119151764) is 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide is C/N=C(\NCc1ccnc(C)n1)NC1CC1C.I.
What is the InChIKey of 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide?
The InChIKey is WJTHFXOEICVDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5.HI/c1-8-6-11(8)17-12(13-3)15-7-10-4-5-14-9(2)16-10;/h4-5,8,11H,6-7H2,1-3H3,(H2,13,15,17);1H.
What are the key properties of 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide?
2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide has a molecular weight of 361.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylcyclopropyl)-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119151764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).