4-heptoxy-6-hydrazinylpyrimidin-2-amine

C11H21N5O — CID 80909546

IUPAC4-heptoxy-6-hydrazinylpyrimidin-2-amine
SMILESCCCCCCCOc1cc(NN)nc(N)n1
InChIInChI=1S/C11H21N5O/c1-2-3-4-5-6-7-17-10-8-9(16-13)14-11(12)15-10/h8H,2-7,13H2,1H3,(H3,12,14,15,16)
InChIKeyBJTMSNFRRXNZAP-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.69
Rot. Bonds8

About 4-heptoxy-6-hydrazinylpyrimidin-2-amine

4-heptoxy-6-hydrazinylpyrimidin-2-amine (PubChem CID 80909546) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-heptoxy-6-hydrazinylpyrimidin-2-amine.

Molecular Properties

Compound Name4-heptoxy-6-hydrazinylpyrimidin-2-amine
PubChem CID80909546
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name4-heptoxy-6-hydrazinylpyrimidin-2-amine
SMILESCCCCCCCOc1cc(NN)nc(N)n1
InChIInChI=1S/C11H21N5O/c1-2-3-4-5-6-7-17-10-8-9(16-13)14-11(12)15-10/h8H,2-7,13H2,1H3,(H3,12,14,15,16)
InChIKeyBJTMSNFRRXNZAP-UHFFFAOYSA-N
XLogP1.69
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427
6-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 91405018
4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine
CID 80930333
4-hydrazinyl-6-(2-methylpentoxy)pyrimidin-2-amine
CID 103286528
[6-(2-butoxyethoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80909301
4-N-dodecyl-6-methoxypyrimidine-2,4-diamine
CID 91378772
6-methoxy-4-N-nonylpyrimidine-2,4-diamine
CID 91451166
6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine
CID 91279272
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
4-butoxy-6-(chloromethyl)pyrimidin-2-amine
CID 54521493
N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
CID 80950198
N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
CID 80950123

Frequently Asked Questions

What is the IUPAC name of 4-heptoxy-6-hydrazinylpyrimidin-2-amine?
The IUPAC name of 4-heptoxy-6-hydrazinylpyrimidin-2-amine (CID 80909546) is 4-heptoxy-6-hydrazinylpyrimidin-2-amine.
What is the SMILES notation for 4-heptoxy-6-hydrazinylpyrimidin-2-amine?
The canonical SMILES for 4-heptoxy-6-hydrazinylpyrimidin-2-amine is CCCCCCCOc1cc(NN)nc(N)n1.
What is the InChIKey of 4-heptoxy-6-hydrazinylpyrimidin-2-amine?
The InChIKey is BJTMSNFRRXNZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-2-3-4-5-6-7-17-10-8-9(16-13)14-11(12)15-10/h8H,2-7,13H2,1H3,(H3,12,14,15,16).
What are the key properties of 4-heptoxy-6-hydrazinylpyrimidin-2-amine?
4-heptoxy-6-hydrazinylpyrimidin-2-amine has a molecular weight of 239.32 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxy-6-hydrazinylpyrimidin-2-amine is sourced from PubChem (CID 80909546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).