N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine

C11H11ClFN5 — CID 107371200

IUPACN-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1cnc(NN)nc1Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H11ClFN5/c1-6-5-15-11(18-14)17-10(6)16-9-3-7(12)2-8(13)4-9/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyDRCGJQMVGWRFTP-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.61
Rot. Bonds3

About N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine

N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 107371200) has the molecular formula C11H11ClFN5 and a molecular weight of 267.69 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID107371200
Molecular FormulaC11H11ClFN5
Molecular Weight267.69 g/mol
Exact Mass267.07
IUPAC NameN-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1cnc(NN)nc1Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H11ClFN5/c1-6-5-15-11(18-14)17-10(6)16-9-3-7(12)2-8(13)4-9/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyDRCGJQMVGWRFTP-UHFFFAOYSA-N
XLogP2.61
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.61
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

N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927122
N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107581065
N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 104728727
N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114841210
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927969
N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 107371204
5-chloro-4-N-(3-chloro-5-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107371057
N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927485
4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80851369
2-N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107371206
N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
CID 107371208
N-(4-ethyl-3-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114250739

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine (CID 107371200) is N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine is Cc1cnc(NN)nc1Nc1cc(F)cc(Cl)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is DRCGJQMVGWRFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN5/c1-6-5-15-11(18-14)17-10(6)16-9-3-7(12)2-8(13)4-9/h2-5H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 267.69 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 107371200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).