2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile

C12H11FN6 — CID 107802105

IUPAC2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile
SMILESCc1cccc(Nc2nc(NN)ncc2F)c1C#N
InChIInChI=1S/C12H11FN6/c1-7-3-2-4-10(8(7)5-14)17-11-9(13)6-16-12(18-11)19-15/h2-4,6H,15H2,1H3,(H2,16,17,18,19)
InChIKeyLNVMFCWHHJIDRT-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.83
Rot. Bonds3

About 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile

2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile (PubChem CID 107802105) has the molecular formula C12H11FN6 and a molecular weight of 258.26 g/mol. Its IUPAC name is 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile
PubChem CID107802105
Molecular FormulaC12H11FN6
Molecular Weight258.26 g/mol
Exact Mass258.10
IUPAC Name2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile
SMILESCc1cccc(Nc2nc(NN)ncc2F)c1C#N
InChIInChI=1S/C12H11FN6/c1-7-3-2-4-10(8(7)5-14)17-11-9(13)6-16-12(18-11)19-15/h2-4,6H,15H2,1H3,(H2,16,17,18,19)
InChIKeyLNVMFCWHHJIDRT-UHFFFAOYSA-N
XLogP1.83
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80792497
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107802085
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile
CID 107802103
3-bromo-4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 114002302
2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107805421
4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80762179
2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80920318
5-fluoro-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80899165
2-(6-amino-2,3-difluoroanilino)-6-methylbenzonitrile
CID 107802725
N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 107531935
2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83026990
N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927980

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile?
The IUPAC name of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile (CID 107802105) is 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile?
The canonical SMILES for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile is Cc1cccc(Nc2nc(NN)ncc2F)c1C#N.
What is the InChIKey of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile?
The InChIKey is LNVMFCWHHJIDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN6/c1-7-3-2-4-10(8(7)5-14)17-11-9(13)6-16-12(18-11)19-15/h2-4,6H,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile?
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile has a molecular weight of 258.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile is sourced from PubChem (CID 107802105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).