N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine

C14H18FN5 — CID 80926608

IUPACN-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(NCCc2ccc(F)cc2C)n1
InChIInChI=1S/C14H18FN5/c1-9-7-12(15)4-3-11(9)5-6-17-13-8-14(20-16)19-10(2)18-13/h3-4,7-8H,5-6,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyRTRFUUHXWKLZIV-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.17
Rot. Bonds5

About N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine

N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine (PubChem CID 80926608) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
PubChem CID80926608
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC NameN-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(NCCc2ccc(F)cc2C)n1
InChIInChI=1S/C14H18FN5/c1-9-7-12(15)4-3-11(9)5-6-17-13-8-14(20-16)19-10(2)18-13/h3-4,7-8H,5-6,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyRTRFUUHXWKLZIV-UHFFFAOYSA-N
XLogP2.17
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.17
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

4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80852017
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80852616
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80944222
3,5-dichloro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102762299
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80852310
2-(4-fluoro-2-methylphenyl)ethylhydrazine
CID 105220815
6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412529
6-hydrazinyl-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
6-hydrazinyl-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 80932180
6-hydrazinyl-2-methyl-N-pentylpyrimidin-4-amine
CID 80932312
6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80898136
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine (CID 80926608) is N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine is Cc1nc(NN)cc(NCCc2ccc(F)cc2C)n1.
What is the InChIKey of N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
The InChIKey is RTRFUUHXWKLZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-9-7-12(15)4-3-11(9)5-6-17-13-8-14(20-16)19-10(2)18-13/h3-4,7-8H,5-6,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80926608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).