2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide

C10H16IN5 — CID 119119982

IUPAC2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/Cc1ccnc(C)n1.I
InChIInChI=1S/C10H15N5.HI/c1-3-5-13-10(11)14-7-9-4-6-12-8(2)15-9;/h3-4,6H,1,5,7H2,2H3,(H3,11,13,14);1H
InChIKeyMHIPVHDBWJDLMS-UHFFFAOYSA-N
MW333.18 g/mol
LogP0.99
Rot. Bonds4

About 2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide

2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide (PubChem CID 119119982) has the molecular formula C10H16IN5 and a molecular weight of 333.18 g/mol. Its IUPAC name is 2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide
PubChem CID119119982
Molecular FormulaC10H16IN5
Molecular Weight333.18 g/mol
Exact Mass333.05
IUPAC Name2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/Cc1ccnc(C)n1.I
InChIInChI=1S/C10H15N5.HI/c1-3-5-13-10(11)14-7-9-4-6-12-8(2)15-9;/h3-4,6H,1,5,7H2,2H3,(H3,11,13,14);1H
InChIKeyMHIPVHDBWJDLMS-UHFFFAOYSA-N
XLogP0.99
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 50.99
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

1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119119969
1-(3,4-dimethylphenyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119119933
2-[(2-methylpyrimidin-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 119119967
2-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-prop-2-enylguanidine;hydroiodide
CID 111573035
1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine
CID 83034076
2-[(2-ethylphenyl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 111456476
2-[(2-ethylphenyl)methyl]-1-prop-2-enylguanidine
CID 111456477
2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine
CID 111465365
2-[[3-[[[amino-(prop-2-enylamino)methylidene]amino]methyl]phenyl]methyl]-1-prop-2-enylguanidine;hydroiodide
CID 110062247
1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119119949
2-[(4-cyanophenyl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 110915996
N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119928

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide (CID 119119982) is 2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide is C=CCN/C(N)=N/Cc1ccnc(C)n1.I.
What is the InChIKey of 2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide?
The InChIKey is MHIPVHDBWJDLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5.HI/c1-3-5-13-10(11)14-7-9-4-6-12-8(2)15-9;/h3-4,6H,1,5,7H2,2H3,(H3,11,13,14);1H.
What are the key properties of 2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide?
2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide has a molecular weight of 333.18 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 119119982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).