4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine

C10H20N6 — CID 80907899

IUPAC4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine
SMILESCCCCC(C)Nc1cc(NN)nc(N)n1
InChIInChI=1S/C10H20N6/c1-3-4-5-7(2)13-8-6-9(16-12)15-10(11)14-8/h6-7H,3-5,12H2,1-2H3,(H4,11,13,14,15,16)
InChIKeyBAAGILNYNCQZFU-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.34
Rot. Bonds6

About 4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine

4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 80907899) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID80907899
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC Name4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine
SMILESCCCCC(C)Nc1cc(NN)nc(N)n1
InChIInChI=1S/C10H20N6/c1-3-4-5-7(2)13-8-6-9(16-12)15-10(11)14-8/h6-7H,3-5,12H2,1-2H3,(H4,11,13,14,15,16)
InChIKeyBAAGILNYNCQZFU-UHFFFAOYSA-N
XLogP1.34
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.34
H-Bond Donors ≤ 54
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 4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine (CID 80907899) is 4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine is CCCCC(C)Nc1cc(NN)nc(N)n1.
What is the InChIKey of 4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is BAAGILNYNCQZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c1-3-4-5-7(2)13-8-6-9(16-12)15-10(11)14-8/h6-7H,3-5,12H2,1-2H3,(H4,11,13,14,15,16).
What are the key properties of 4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine?
4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 80907899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).