2-[2-(cyclohexylmethyl)hydrazinyl]-9-methylpurin-6-amine

C13H21N7 — CID 69217109

IUPAC2-[2-(cyclohexylmethyl)hydrazinyl]-9-methylpurin-6-amine
SMILESCn1cnc2c(N)nc(NNCC3CCCCC3)nc21
InChIInChI=1S/C13H21N7/c1-20-8-15-10-11(14)17-13(18-12(10)20)19-16-7-9-5-3-2-4-6-9/h8-9,16H,2-7H2,1H3,(H3,14,17,18,19)
InChIKeyZMZKCBMVNPBQBU-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.44
Rot. Bonds4

About 2-[2-(cyclohexylmethyl)hydrazinyl]-9-methylpurin-6-amine

2-[2-(cyclohexylmethyl)hydrazinyl]-9-methylpurin-6-amine (PubChem CID 69217109) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethyl)hydrazinyl]-9-methylpurin-6-amine.

Molecular Properties

Compound Name2-[2-(cyclohexylmethyl)hydrazinyl]-9-methylpurin-6-amine
PubChem CID69217109
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name2-[2-(cyclohexylmethyl)hydrazinyl]-9-methylpurin-6-amine
SMILESCn1cnc2c(N)nc(NNCC3CCCCC3)nc21
InChIInChI=1S/C13H21N7/c1-20-8-15-10-11(14)17-13(18-12(10)20)19-16-7-9-5-3-2-4-6-9/h8-9,16H,2-7H2,1H3,(H3,14,17,18,19)
InChIKeyZMZKCBMVNPBQBU-UHFFFAOYSA-N
XLogP1.44
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-Cyclohexyl-9-methyl-9H-purin-6-amine
CID 15693939
Cyclohexyl-(9-ethyl-9H-purin-6-yl)-amine
CID 15693949
N-0861 racemate
CID 9837708
N 0861
CID 126615
6-(cyclohexylamino)-9-propyl-9H-purine-2-carbonitrile
CID 24776926
9-(cyclohexylmethyl)-6-(hexylamino)-9H-purine-2-carbonitrile
CID 24778051
2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine
CID 167889300
N-((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)-9-methyl-9H-purin-6-amine
CID 6918211
9-(2-(hexylamino)ethyl)-9H-purin-6-amine
CID 2039181
9-(1-Methylcyclohexyl)purin-6-amine
CID 44305407
(9-Isopropyl-9H-purin-6-yl)-pentyl-amine
CID 44332451
2-chloro-N-methyl-9-[[3-(trifluoromethyl)cyclohexyl]methyl]purin-6-amine
CID 167930898

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylmethyl)hydrazinyl]-9-methylpurin-6-amine?
The IUPAC name of 2-[2-(cyclohexylmethyl)hydrazinyl]-9-methylpurin-6-amine (CID 69217109) is 2-[2-(cyclohexylmethyl)hydrazinyl]-9-methylpurin-6-amine.
What is the SMILES notation for 2-[2-(cyclohexylmethyl)hydrazinyl]-9-methylpurin-6-amine?
The canonical SMILES for 2-[2-(cyclohexylmethyl)hydrazinyl]-9-methylpurin-6-amine is Cn1cnc2c(N)nc(NNCC3CCCCC3)nc21.
What is the InChIKey of 2-[2-(cyclohexylmethyl)hydrazinyl]-9-methylpurin-6-amine?
The InChIKey is ZMZKCBMVNPBQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-20-8-15-10-11(14)17-13(18-12(10)20)19-16-7-9-5-3-2-4-6-9/h8-9,16H,2-7H2,1H3,(H3,14,17,18,19).
What are the key properties of 2-[2-(cyclohexylmethyl)hydrazinyl]-9-methylpurin-6-amine?
2-[2-(cyclohexylmethyl)hydrazinyl]-9-methylpurin-6-amine has a molecular weight of 275.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylmethyl)hydrazinyl]-9-methylpurin-6-amine is sourced from PubChem (CID 69217109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).