2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine

C12H19N7 — CID 80903292

IUPAC2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine
SMILESCc1cnc(NN)nc1NCCCCn1ccnc1
InChIInChI=1S/C12H19N7/c1-10-8-16-12(18-13)17-11(10)15-4-2-3-6-19-7-5-14-9-19/h5,7-9H,2-4,6,13H2,1H3,(H2,15,16,17,18)
InChIKeyAKNHJMMSRXGOPJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.16
Rot. Bonds7

About 2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine

2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine (PubChem CID 80903292) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine
PubChem CID80903292
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine
SMILESCc1cnc(NN)nc1NCCCCn1ccnc1
InChIInChI=1S/C12H19N7/c1-10-8-16-12(18-13)17-11(10)15-4-2-3-6-19-7-5-14-9-19/h5,7-9H,2-4,6,13H2,1H3,(H2,15,16,17,18)
InChIKeyAKNHJMMSRXGOPJ-UHFFFAOYSA-N
XLogP1.16
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine 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-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine
CID 80896447
4-N-(3-imidazol-1-ylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753852
N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine
CID 65416898
5-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentanamide
CID 106241936
5-chloro-4-N-(3-imidazol-1-ylpropyl)-2-N-methylpyrimidine-2,4-diamine
CID 80753932
2-hydrazinyl-5-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107819142
4-[[4-(2-imidazol-1-ylethylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 68820842
5-fluoro-4-N-(4-imidazol-1-ylbutyl)pyrimidine-2,4-diamine
CID 80819497
2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012861
2-hydrazinyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80899340
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
CID 80932366

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine (CID 80903292) is 2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine is Cc1cnc(NN)nc1NCCCCn1ccnc1.
What is the InChIKey of 2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine?
The InChIKey is AKNHJMMSRXGOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-10-8-16-12(18-13)17-11(10)15-4-2-3-6-19-7-5-14-9-19/h5,7-9H,2-4,6,13H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine?
2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80903292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).