2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine

C14H20N6 — CID 82746668

IUPAC2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine
SMILESCCc1nc(NN)cc(NCc2ncccc2CC)n1
InChIInChI=1S/C14H20N6/c1-3-10-6-5-7-16-11(10)9-17-13-8-14(20-15)19-12(4-2)18-13/h5-8H,3-4,9,15H2,1-2H3,(H2,17,18,19,20)
InChIKeyVXBKANDKVFNLFK-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.89
Rot. Bonds6

About 2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine

2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine (PubChem CID 82746668) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine
PubChem CID82746668
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine
SMILESCCc1nc(NN)cc(NCc2ncccc2CC)n1
InChIInChI=1S/C14H20N6/c1-3-10-6-5-7-16-11(10)9-17-13-8-14(20-15)19-12(4-2)18-13/h5-8H,3-4,9,15H2,1-2H3,(H2,17,18,19,20)
InChIKeyVXBKANDKVFNLFK-UHFFFAOYSA-N
XLogP1.89
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.89
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine (CID 82746668) is 2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine is CCc1nc(NN)cc(NCc2ncccc2CC)n1.
What is the InChIKey of 2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine?
The InChIKey is VXBKANDKVFNLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-3-10-6-5-7-16-11(10)9-17-13-8-14(20-15)19-12(4-2)18-13/h5-8H,3-4,9,15H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine?
2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine has a molecular weight of 272.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 82746668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).