5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine

C14H18FN5 — CID 80932991

IUPAC5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H18FN5/c1-3-12-13(19-16)17-9-18-14(12)20(2)8-10-5-4-6-11(15)7-10/h4-7,9H,3,8,16H2,1-2H3,(H,17,18,19)
InChIKeyXSQZIDIISDLYDU-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.10
Rot. Bonds5

About 5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine

5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine (PubChem CID 80932991) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine
PubChem CID80932991
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H18FN5/c1-3-12-13(19-16)17-9-18-14(12)20(2)8-10-5-4-6-11(15)7-10/h4-7,9H,3,8,16H2,1-2H3,(H,17,18,19)
InChIKeyXSQZIDIISDLYDU-UHFFFAOYSA-N
XLogP2.10
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.10
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'}

Analyze 5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-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-ethyl-6-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80906617
N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80899566
N'-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 80909904
6-hydrazinyl-N-methyl-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80906104
5-ethyl-6-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80914072
N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 80917919
N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 94145814
N-(cyclopropylmethyl)-5-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80899182
6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80905798
4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793896
5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine
CID 80906749
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80749797

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine (CID 80932991) is 5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine is CCc1c(NN)ncnc1N(C)Cc1cccc(F)c1.
What is the InChIKey of 5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine?
The InChIKey is XSQZIDIISDLYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-3-12-13(19-16)17-9-18-14(12)20(2)8-10-5-4-6-11(15)7-10/h4-7,9H,3,8,16H2,1-2H3,(H,17,18,19).
What are the key properties of 5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine?
5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80932991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).