N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine

C13H13ClFN5 — CID 80964867

IUPACN-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2cc(Cl)ccc2F)nc(C2CC2)n1
InChIInChI=1S/C13H13ClFN5/c14-8-3-4-9(15)10(5-8)17-11-6-12(20-16)19-13(18-11)7-1-2-7/h3-7H,1-2,16H2,(H2,17,18,19,20)
InChIKeySFFSXPPUOAZMOU-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.18
Rot. Bonds4

About N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine

N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 80964867) has the molecular formula C13H13ClFN5 and a molecular weight of 293.73 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
PubChem CID80964867
Molecular FormulaC13H13ClFN5
Molecular Weight293.73 g/mol
Exact Mass293.08
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2cc(Cl)ccc2F)nc(C2CC2)n1
InChIInChI=1S/C13H13ClFN5/c14-8-3-4-9(15)10(5-8)17-11-6-12(20-16)19-13(18-11)7-1-2-7/h3-7H,1-2,16H2,(H2,17,18,19,20)
InChIKeySFFSXPPUOAZMOU-UHFFFAOYSA-N
XLogP3.18
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.18
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

2-cyclopropyl-N-(2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969096
N-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 102855651
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80906036
N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80968707
N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80969702
2-cyclopropyl-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyrimidin-4-amine
CID 80969109
2-cyclopropyl-N-(2,6-dichlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969290
2-cyclopropyl-N-(2,5-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968268
6-chloro-N-(5-chloro-2-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948774
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897846
2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969126
[2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80969675

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine (CID 80964867) is N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine is NNc1cc(Nc2cc(Cl)ccc2F)nc(C2CC2)n1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is SFFSXPPUOAZMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN5/c14-8-3-4-9(15)10(5-8)17-11-6-12(20-16)19-13(18-11)7-1-2-7/h3-7H,1-2,16H2,(H2,17,18,19,20).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 293.73 g/mol, XLogP of 3.18, 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)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80964867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).