4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-2-carboximidamide

C7H10N8 — CID 10398061

IUPAC4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccc(/C=N/N=C(N)N)n1
InChIInChI=1S/C7H10N8/c8-5(9)6-12-2-1-4(14-6)3-13-15-7(10)11/h1-3H,(H3,8,9)(H4,10,11,15)/b13-3+
InChIKeyNYQJOMOBQZPZLE-QLKAYGNNSA-N
MW206.21 g/mol
LogP-1.63
Rot. Bonds3

About 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-2-carboximidamide

4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-2-carboximidamide (PubChem CID 10398061) has the molecular formula C7H10N8 and a molecular weight of 206.21 g/mol. Its IUPAC name is 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-2-carboximidamide.

Molecular Properties

Compound Name4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-2-carboximidamide
PubChem CID10398061
Molecular FormulaC7H10N8
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccc(/C=N/N=C(N)N)n1
InChIInChI=1S/C7H10N8/c8-5(9)6-12-2-1-4(14-6)3-13-15-7(10)11/h1-3H,(H3,8,9)(H4,10,11,15)/b13-3+
InChIKeyNYQJOMOBQZPZLE-QLKAYGNNSA-N
XLogP-1.63
TPSA152.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-2-carboximidamide?
The IUPAC name of 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-2-carboximidamide (CID 10398061) is 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-2-carboximidamide.
What is the SMILES notation for 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-2-carboximidamide?
The canonical SMILES for 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-2-carboximidamide is [H]/N=C(\N)c1nccc(/C=N/N=C(N)N)n1.
What is the InChIKey of 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-2-carboximidamide?
The InChIKey is NYQJOMOBQZPZLE-QLKAYGNNSA-N. The full InChI is InChI=1S/C7H10N8/c8-5(9)6-12-2-1-4(14-6)3-13-15-7(10)11/h1-3H,(H3,8,9)(H4,10,11,15)/b13-3+.
What are the key properties of 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-2-carboximidamide?
4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-2-carboximidamide has a molecular weight of 206.21 g/mol, XLogP of -1.63, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-2-carboximidamide is sourced from PubChem (CID 10398061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).