N-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine

C13H15ClFN5O — CID 107371189

IUPACN-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCOCc1nc(NN)cc(Nc2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C13H15ClFN5O/c1-2-21-7-13-18-11(6-12(19-13)20-16)17-10-4-8(14)3-9(15)5-10/h3-6H,2,7,16H2,1H3,(H2,17,18,19,20)
InChIKeyPBDIUTIQFCNHLS-UHFFFAOYSA-N
MW311.75 g/mol
LogP2.83
Rot. Bonds6

About N-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine

N-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 107371189) has the molecular formula C13H15ClFN5O and a molecular weight of 311.75 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID107371189
Molecular FormulaC13H15ClFN5O
Molecular Weight311.75 g/mol
Exact Mass311.09
IUPAC NameN-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCOCc1nc(NN)cc(Nc2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C13H15ClFN5O/c1-2-21-7-13-18-11(6-12(19-13)20-16)17-10-4-8(14)3-9(15)5-10/h3-6H,2,7,16H2,1H3,(H2,17,18,19,20)
InChIKeyPBDIUTIQFCNHLS-UHFFFAOYSA-N
XLogP2.83
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 52.83
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

N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 107371209
4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 107371108
N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80927041
N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 83073478
2-(ethoxymethyl)-6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294436
2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968503
4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 107371100
2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424697
6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol
CID 107854990
[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine
CID 113401955
N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113401888
4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine
CID 80933085

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine (CID 107371189) is N-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine is CCOCc1nc(NN)cc(Nc2cc(F)cc(Cl)c2)n1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is PBDIUTIQFCNHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN5O/c1-2-21-7-13-18-11(6-12(19-13)20-16)17-10-4-8(14)3-9(15)5-10/h3-6H,2,7,16H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine?
N-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 311.75 g/mol, XLogP of 2.83, 6 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)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 107371189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).