N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine

C11H11ClFN5O — CID 107371208

IUPACN-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
SMILESCOc1c(NN)ncnc1Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H11ClFN5O/c1-19-9-10(15-5-16-11(9)18-14)17-8-3-6(12)2-7(13)4-8/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyCMAJRMJBDAVOKG-UHFFFAOYSA-N
MW283.69 g/mol
LogP2.31
Rot. Bonds4

About N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine

N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine (PubChem CID 107371208) has the molecular formula C11H11ClFN5O and a molecular weight of 283.69 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
PubChem CID107371208
Molecular FormulaC11H11ClFN5O
Molecular Weight283.69 g/mol
Exact Mass283.06
IUPAC NameN-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
SMILESCOc1c(NN)ncnc1Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H11ClFN5O/c1-19-9-10(15-5-16-11(9)18-14)17-8-3-6(12)2-7(13)4-8/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyCMAJRMJBDAVOKG-UHFFFAOYSA-N
XLogP2.31
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-N-(3-chloro-5-fluorophenyl)-6-ethoxypyrimidine-4,5-diamine
CID 107363613
5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine
CID 114262908
N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107371200
1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115379769
6-(3-chloro-5-fluorophenyl)-5-methoxy-N-propylpyrimidin-4-amine
CID 115504768
N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 107371204
4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 107617734
6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine
CID 107368865
N-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 23483587
4-N-(2-chloro-5-fluorophenyl)-5-methoxypyrimidine-4,6-diamine
CID 107531835
3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine
CID 107363634
4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine
CID 79048465

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine (CID 107371208) is N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine is COc1c(NN)ncnc1Nc1cc(F)cc(Cl)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine?
The InChIKey is CMAJRMJBDAVOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN5O/c1-19-9-10(15-5-16-11(9)18-14)17-8-3-6(12)2-7(13)4-8/h2-5H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine?
N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine has a molecular weight of 283.69 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 107371208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).