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

C13H15ClFN5 — CID 80906889

IUPACN-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(NN)ncnc1Nc1cc(Cl)ccc1F
InChIInChI=1S/C13H15ClFN5/c1-7(2)11-12(17-6-18-13(11)20-16)19-10-5-8(14)3-4-9(10)15/h3-7H,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyNYNTYQSLLHARFT-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.42
Rot. Bonds4

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

N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80906889) has the molecular formula C13H15ClFN5 and a molecular weight of 295.75 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80906889
Molecular FormulaC13H15ClFN5
Molecular Weight295.75 g/mol
Exact Mass295.10
IUPAC NameN-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(NN)ncnc1Nc1cc(Cl)ccc1F
InChIInChI=1S/C13H15ClFN5/c1-7(2)11-12(17-6-18-13(11)20-16)19-10-5-8(14)3-4-9(10)15/h3-7H,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyNYNTYQSLLHARFT-UHFFFAOYSA-N
XLogP3.42
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.42
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-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-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-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80927804
6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80912556
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897397
N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80921013
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841839
N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80920264
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80902212
4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80754783
3-bromo-4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 107795538
6-hydrazinyl-5-propan-2-yl-N-(2-propylphenyl)pyrimidin-4-amine
CID 80901927
[6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80926034
2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83027639

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine (CID 80906889) is N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(NN)ncnc1Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is NYNTYQSLLHARFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN5/c1-7(2)11-12(17-6-18-13(11)20-16)19-10-5-8(14)3-4-9(10)15/h3-7H,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 295.75 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80906889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).