[2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine

C13H23N5 — CID 80656209

IUPAC[2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(CN2CCCCCCC2)n1
InChIInChI=1S/C13H23N5/c1-11-9-12(17-14)16-13(15-11)10-18-7-5-3-2-4-6-8-18/h9H,2-8,10,14H2,1H3,(H,15,16,17)
InChIKeyFGJCHAQUPBSLTG-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.84
Rot. Bonds3

About [2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine

[2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 80656209) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is [2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine
PubChem CID80656209
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name[2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(CN2CCCCCCC2)n1
InChIInChI=1S/C13H23N5/c1-11-9-12(17-14)16-13(15-11)10-18-7-5-3-2-4-6-8-18/h9H,2-8,10,14H2,1H3,(H,15,16,17)
InChIKeyFGJCHAQUPBSLTG-UHFFFAOYSA-N
XLogP1.84
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-Hydrazinyl-2,6-dimethylpyrimidine
CID 736395
4-N-[2-(dimethylamino)ethyl]-2-N-dodecyl-6-methylpyrimidine-2,4-diamine
CID 137648646
2-N-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112910508
2-N-(2-aminoethyl)-4-N-dodecyl-6-methylpyrimidine-2,4-diamine
CID 137631880
4-N,4-N-didecyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 137633309
2-N-decyl-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 137634985
2-N-[2-(dimethylamino)ethyl]-4-N-hexyl-6-methylpyrimidine-2,4-diamine
CID 137635183
4-N-[2-(dimethylamino)ethyl]-2-N-hexyl-6-methylpyrimidine-2,4-diamine
CID 137637881
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-tetradecylpyrimidine-2,4-diamine
CID 137638235
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-octylpyrimidine-2,4-diamine
CID 137644023
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 137644076
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-octadecylpyrimidine-2,4-diamine
CID 137651780

Frequently Asked Questions

What is the IUPAC name of [2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine (CID 80656209) is [2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine is Cc1cc(NN)nc(CN2CCCCCCC2)n1.
What is the InChIKey of [2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is FGJCHAQUPBSLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-11-9-12(17-14)16-13(15-11)10-18-7-5-3-2-4-6-8-18/h9H,2-8,10,14H2,1H3,(H,15,16,17).
What are the key properties of [2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine?
[2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 249.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80656209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).