N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

C14H18FN5 — CID 81006258

IUPACN-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)C)nc1Nc1ccc(F)cc1
InChIInChI=1S/C14H18FN5/c1-8(2)12-18-13(9(3)14(19-12)20-16)17-11-6-4-10(15)5-7-11/h4-8H,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyQYKOBWSSVBOELZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.08
Rot. Bonds4

About N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 81006258) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID81006258
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC NameN-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)C)nc1Nc1ccc(F)cc1
InChIInChI=1S/C14H18FN5/c1-8(2)12-18-13(9(3)14(19-12)20-16)17-11-6-4-10(15)5-7-11/h4-8H,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyQYKOBWSSVBOELZ-UHFFFAOYSA-N
XLogP3.08
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.08
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'}

Analyze N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-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

N-(4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80927488
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 107639591
N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007658
N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80994887
4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976810
[6-(2,4-difluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81000644
4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80761015
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 80981896
6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80972758
5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine
CID 80986116
6-N-ethyl-4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80761163
4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80977168

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 81006258) is N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(NN)nc(C(C)C)nc1Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is QYKOBWSSVBOELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-8(2)12-18-13(9(3)14(19-12)20-16)17-11-6-4-10(15)5-7-11/h4-8H,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 81006258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).