1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide

C11H18IN5 — CID 119119969

IUPAC1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
SMILESC=C(C)CN/C(N)=N/Cc1ccnc(C)n1.I
InChIInChI=1S/C11H17N5.HI/c1-8(2)6-14-11(12)15-7-10-4-5-13-9(3)16-10;/h4-5H,1,6-7H2,2-3H3,(H3,12,14,15);1H
InChIKeyKKZZTNQKGPDSHJ-UHFFFAOYSA-N
MW347.20 g/mol
LogP1.38
Rot. Bonds4

About 1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide

1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide (PubChem CID 119119969) has the molecular formula C11H18IN5 and a molecular weight of 347.20 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
PubChem CID119119969
Molecular FormulaC11H18IN5
Molecular Weight347.20 g/mol
Exact Mass347.06
IUPAC Name1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
SMILESC=C(C)CN/C(N)=N/Cc1ccnc(C)n1.I
InChIInChI=1S/C11H17N5.HI/c1-8(2)6-14-11(12)15-7-10-4-5-13-9(3)16-10;/h4-5H,1,6-7H2,2-3H3,(H3,12,14,15);1H
InChIKeyKKZZTNQKGPDSHJ-UHFFFAOYSA-N
XLogP1.38
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 51.38
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 119119982
1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine
CID 122097165
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111806981
1-(3,4-dimethylphenyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119119933
1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine
CID 83034076
2-[(2-methylpyrimidin-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 119119967
1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119119949
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111067947
1-(2-methylprop-2-enyl)-2-[(4-methylthiophen-3-yl)methyl]guanidine;hydroiodide
CID 120602779
2-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111807589
N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119928
2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111052962

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide (CID 119119969) is 1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide is C=C(C)CN/C(N)=N/Cc1ccnc(C)n1.I.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide?
The InChIKey is KKZZTNQKGPDSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5.HI/c1-8(2)6-14-11(12)15-7-10-4-5-13-9(3)16-10;/h4-5H,1,6-7H2,2-3H3,(H3,12,14,15);1H.
What are the key properties of 1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide?
1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide has a molecular weight of 347.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119119969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).