5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

C9H12FN7 — CID 80914824

IUPAC5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCn1ccnc1CNc1nc(NN)ncc1F
InChIInChI=1S/C9H12FN7/c1-17-3-2-12-7(17)5-13-8-6(10)4-14-9(15-8)16-11/h2-4H,5,11H2,1H3,(H2,13,14,15,16)
InChIKeySTUCNLJNGIUWJU-UHFFFAOYSA-N
MW237.24 g/mol
LogP0.25
Rot. Bonds4

About 5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 80914824) has the molecular formula C9H12FN7 and a molecular weight of 237.24 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID80914824
Molecular FormulaC9H12FN7
Molecular Weight237.24 g/mol
Exact Mass237.11
IUPAC Name5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCn1ccnc1CNc1nc(NN)ncc1F
InChIInChI=1S/C9H12FN7/c1-17-3-2-12-7(17)5-13-8-6(10)4-14-9(15-8)16-11/h2-4H,5,11H2,1H3,(H2,13,14,15,16)
InChIKeySTUCNLJNGIUWJU-UHFFFAOYSA-N
XLogP0.25
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-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

5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80829925
2-N-ethyl-5-fluoro-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80829928
6-hydrazinyl-2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80913792
5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 104924181
2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 114045033
4-ethoxy-6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80914033
5-fluoro-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80899165
5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine
CID 80902838
2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80913707
3-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 83062959
5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
CID 63293701

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (CID 80914824) is 5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is Cn1ccnc1CNc1nc(NN)ncc1F.
What is the InChIKey of 5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is STUCNLJNGIUWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN7/c1-17-3-2-12-7(17)5-13-8-6(10)4-14-9(15-8)16-11/h2-4H,5,11H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 237.24 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80914824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).