[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine

C12H17ClN6O — CID 113401955

IUPAC[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCCOCc1nc(NN)cc(-n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C12H17ClN6O/c1-4-20-6-10-15-9(17-14)5-11(16-10)19-8(3)12(13)7(2)18-19/h5H,4,6,14H2,1-3H3,(H,15,16,17)
InChIKeyIWTJLZNBGRDVNS-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.75
Rot. Bonds5

About [6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine

[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine (PubChem CID 113401955) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is [6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine
PubChem CID113401955
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC Name[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCCOCc1nc(NN)cc(-n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C12H17ClN6O/c1-4-20-6-10-15-9(17-14)5-11(16-10)19-8(3)12(13)7(2)18-19/h5H,4,6,14H2,1-3H3,(H,15,16,17)
InChIKeyIWTJLZNBGRDVNS-UHFFFAOYSA-N
XLogP1.75
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione
CID 113401894
[2-(ethoxymethyl)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]hydrazine
CID 102887920
[6-(3,5-dimethylpyrazol-1-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80946745
[2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 113401999
[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 80900536
N-(3-chloro-5-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine
CID 107371189
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine
CID 106379040
6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol
CID 107854990
2-(ethoxymethyl)-6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294436
[2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 113402000
[2-(ethoxymethyl)-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116806923
2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424697

Frequently Asked Questions

What is the IUPAC name of [6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine (CID 113401955) is [6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine is CCOCc1nc(NN)cc(-n2nc(C)c(Cl)c2C)n1.
What is the InChIKey of [6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is IWTJLZNBGRDVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6O/c1-4-20-6-10-15-9(17-14)5-11(16-10)19-8(3)12(13)7(2)18-19/h5H,4,6,14H2,1-3H3,(H,15,16,17).
What are the key properties of [6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine?
[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 296.76 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 113401955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).