1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine

C8H13N7 — CID 83034076

IUPAC1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine
SMILESCc1nccc(C/N=C(\N)N=C(N)N)n1
InChIInChI=1S/C8H13N7/c1-5-12-3-2-6(14-5)4-13-8(11)15-7(9)10/h2-3H,4H2,1H3,(H6,9,10,11,13,15)
InChIKeyVKGGGRBPNBJRMO-UHFFFAOYSA-N
MW207.24 g/mol
LogP-1.13
Rot. Bonds2

About 1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine

1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine (PubChem CID 83034076) has the molecular formula C8H13N7 and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine
PubChem CID83034076
Molecular FormulaC8H13N7
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine
SMILESCc1nccc(C/N=C(\N)N=C(N)N)n1
InChIInChI=1S/C8H13N7/c1-5-12-3-2-6(14-5)4-13-8(11)15-7(9)10/h2-3H,4H2,1H3,(H6,9,10,11,13,15)
InChIKeyVKGGGRBPNBJRMO-UHFFFAOYSA-N
XLogP-1.13
TPSA128.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
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

N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119928
1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119119969
2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 119119982
1-(3,4-dimethylphenyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119119933
1-(diaminomethylidene)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 83036330
2-[(2-methylpyrimidin-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 119119967
N'-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanimidamide
CID 77030166
1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119119949
2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride
CID 129319573
N'-ethyl-2-methylpyrimidine-4-carboximidamide
CID 115531332
4-(2-chloroethyl)-2-methylpyrimidine
CID 115529496
1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine
CID 21213

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine (CID 83034076) is 1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine is Cc1nccc(C/N=C(\N)N=C(N)N)n1.
What is the InChIKey of 1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine?
The InChIKey is VKGGGRBPNBJRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7/c1-5-12-3-2-6(14-5)4-13-8(11)15-7(9)10/h2-3H,4H2,1H3,(H6,9,10,11,13,15).
What are the key properties of 1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine?
1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine has a molecular weight of 207.24 g/mol, XLogP of -1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine is sourced from PubChem (CID 83034076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).