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

C7H10N8 — CID 10398062

IUPAC2-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(/C=N/N=C(N)N)n1
InChIInChI=1S/C7H10N8/c8-6(9)4-1-2-12-5(14-4)3-13-15-7(10)11/h1-3H,(H3,8,9)(H4,10,11,15)/b13-3+
InChIKeyGKRVPBRMENPBRU-QLKAYGNNSA-N
MW206.21 g/mol
LogP-1.63
Rot. Bonds3

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

2-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-4-carboximidamide (PubChem CID 10398062) has the molecular formula C7H10N8 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-4-carboximidamide
PubChem CID10398062
Molecular FormulaC7H10N8
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name2-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(/C=N/N=C(N)N)n1
InChIInChI=1S/C7H10N8/c8-6(9)4-1-2-12-5(14-4)3-13-15-7(10)11/h1-3H,(H3,8,9)(H4,10,11,15)/b13-3+
InChIKeyGKRVPBRMENPBRU-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-4-methylpyrimidine
CID 7939
4-Methylpyrimidine
CID 18922
2-Amino-4-(trifluoromethyl)pyrimidine
CID 595915
4-((E)-{[(E)-amino(imino)methyl]hydrazono}methyl)pyrimidine-2-carboximidamide
CID 10398061
4-Methylpyrimidine-2-carbonitrile
CID 12684324
2-Azido-4-methylpyrimidine
CID 46900520
4-Methyl-2-pyrimidinemethanamine
CID 18727763
(2-Methylpyrimidin-4-yl)methanamine
CID 25323795
Pyrimidin-4-ylmethanamine
CID 12933348
2-Hydrazinyl-4-methylpyrimidine
CID 12389067
N,N,4-trimethylpyrimidin-2-amine
CID 21783318
Pyrimidine, 2,4-dimethyl-
CID 139742

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-4-carboximidamide?
The IUPAC name of 2-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-4-carboximidamide (CID 10398062) is 2-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-4-carboximidamide?
The canonical SMILES for 2-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(/C=N/N=C(N)N)n1.
What is the InChIKey of 2-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-4-carboximidamide?
The InChIKey is GKRVPBRMENPBRU-QLKAYGNNSA-N. The full InChI is InChI=1S/C7H10N8/c8-6(9)4-1-2-12-5(14-4)3-13-15-7(10)11/h1-3H,(H3,8,9)(H4,10,11,15)/b13-3+.
What are the key properties of 2-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-4-carboximidamide?
2-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-4-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 2-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrimidine-4-carboximidamide is sourced from PubChem (CID 10398062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).