5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine

C13H21N7 — CID 114262897

IUPAC5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1cn(C)nc1C(C)C
InChIInChI=1S/C13H21N7/c1-5-9-12(15-7-16-13(9)18-14)17-10-6-20(4)19-11(10)8(2)3/h6-8H,5,14H2,1-4H3,(H2,15,16,17,18)
InChIKeyPICQDSAYOIAUDA-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.93
Rot. Bonds5

About 5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine

5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 114262897) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID114262897
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1cn(C)nc1C(C)C
InChIInChI=1S/C13H21N7/c1-5-9-12(15-7-16-13(9)18-14)17-10-6-20(4)19-11(10)8(2)3/h6-8H,5,14H2,1-4H3,(H2,15,16,17,18)
InChIKeyPICQDSAYOIAUDA-UHFFFAOYSA-N
XLogP1.93
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.93
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine (CID 114262897) is 5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine is CCc1c(NN)ncnc1Nc1cn(C)nc1C(C)C.
What is the InChIKey of 5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is PICQDSAYOIAUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-5-9-12(15-7-16-13(9)18-14)17-10-6-20(4)19-11(10)8(2)3/h6-8H,5,14H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 114262897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).