N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine

C13H16FN5 — CID 80899402

IUPACN-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine
SMILESCc1nc(NN)cc(N(C)Cc2ccccc2F)n1
InChIInChI=1S/C13H16FN5/c1-9-16-12(18-15)7-13(17-9)19(2)8-10-5-3-4-6-11(10)14/h3-7H,8,15H2,1-2H3,(H,16,17,18)
InChIKeyCGBOWLRNFNEUJM-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.85
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine

N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine (PubChem CID 80899402) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine
PubChem CID80899402
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC NameN-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine
SMILESCc1nc(NN)cc(N(C)Cc2ccccc2F)n1
InChIInChI=1S/C13H16FN5/c1-9-16-12(18-15)7-13(17-9)19(2)8-10-5-3-4-6-11(10)14/h3-7H,8,15H2,1-2H3,(H,16,17,18)
InChIKeyCGBOWLRNFNEUJM-UHFFFAOYSA-N
XLogP1.85
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
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-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80794453
N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine
CID 80899484
6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80907338
4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80898733
6-hydrazinyl-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 80907155
3-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 80918950
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80899995
6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717744
2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one
CID 171704417
4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80794454
6-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66456456
4-N-benzyl-6-N-(3-chloro-4-fluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112872245

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine (CID 80899402) is N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine is Cc1nc(NN)cc(N(C)Cc2ccccc2F)n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine?
The InChIKey is CGBOWLRNFNEUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c1-9-16-12(18-15)7-13(17-9)19(2)8-10-5-3-4-6-11(10)14/h3-7H,8,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine?
N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine has a molecular weight of 261.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80899402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).