N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine

C12H14FN5 — CID 80927969

IUPACN-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1ccc(F)cc1Nc1nc(NN)ncc1C
InChIInChI=1S/C12H14FN5/c1-7-3-4-9(13)5-10(7)16-11-8(2)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyMNSWNUJQIOGVTI-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.26
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine

N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 80927969) has the molecular formula C12H14FN5 and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID80927969
Molecular FormulaC12H14FN5
Molecular Weight247.28 g/mol
Exact Mass247.12
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1ccc(F)cc1Nc1nc(NN)ncc1C
InChIInChI=1S/C12H14FN5/c1-7-3-4-9(13)5-10(7)16-11-8(2)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyMNSWNUJQIOGVTI-UHFFFAOYSA-N
XLogP2.26
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334873
4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 107531896
5-bromo-2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762209
5-bromo-4-N-(5-fluoro-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80761631
N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 107531935
5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762276
N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 104728727
N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107371200
5-chloro-4-N-(5-fluoro-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762137
N-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine
CID 116648850
4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine
CID 82235483
5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 114252987

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine (CID 80927969) is N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine is Cc1ccc(F)cc1Nc1nc(NN)ncc1C.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is MNSWNUJQIOGVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5/c1-7-3-4-9(13)5-10(7)16-11-8(2)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 247.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80927969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).