N-(9-azidononyl)pyrimidin-2-amine

C13H22N6 — CID 71236787

IUPACN-(9-azidononyl)pyrimidin-2-amine
SMILES[N-]=[N+]=NCCCCCCCCCNc1ncccn1
InChIInChI=1S/C13H22N6/c14-19-18-12-7-5-3-1-2-4-6-9-15-13-16-10-8-11-17-13/h8,10-11H,1-7,9,12H2,(H,15,16,17)
InChIKeyQTIJMAITPHWBHQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.93
Rot. Bonds11

About N-(9-azidononyl)pyrimidin-2-amine

N-(9-azidononyl)pyrimidin-2-amine (PubChem CID 71236787) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(9-azidononyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(9-azidononyl)pyrimidin-2-amine
PubChem CID71236787
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN-(9-azidononyl)pyrimidin-2-amine
SMILES[N-]=[N+]=NCCCCCCCCCNc1ncccn1
InChIInChI=1S/C13H22N6/c14-19-18-12-7-5-3-1-2-4-6-9-15-13-16-10-8-11-17-13/h8,10-11H,1-7,9,12H2,(H,15,16,17)
InChIKeyQTIJMAITPHWBHQ-UHFFFAOYSA-N
XLogP3.93
TPSA86.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(14-azidotetradecyl)pyrimidin-2-amine
CID 71236675
N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine
CID 169229750
N-[2-[2-(azidomethyl)phenyl]ethyl]pyrimidin-2-amine
CID 91037223
N-(5-methylsulfanylpentyl)pyrimidin-2-amine
CID 104925501
1,14-diazidotetradecane
CID 146463967
N-(3-azidopropyl)-1H-imidazol-2-amine
CID 89395951
N-(4-azidobutyl)-2-methylpyridine-3-carboxamide
CID 106386346
N-butylpyrimidin-2-amine;molecular hydrogen
CID 142213040
ethyl 2-(6-azidohexylamino)-4-(hex-5-ynylamino)pyrimidine-5-carboxylate
CID 118441581
N-(2-iodoethyl)pyrimidin-2-amine
CID 122607356
6-azido-N-ethylhexan-1-amine
CID 152547134
2-[2-(pyrimidin-2-ylamino)ethyl]guanidine
CID 130723153

Frequently Asked Questions

What is the IUPAC name of N-(9-azidononyl)pyrimidin-2-amine?
The IUPAC name of N-(9-azidononyl)pyrimidin-2-amine (CID 71236787) is N-(9-azidononyl)pyrimidin-2-amine.
What is the SMILES notation for N-(9-azidononyl)pyrimidin-2-amine?
The canonical SMILES for N-(9-azidononyl)pyrimidin-2-amine is [N-]=[N+]=NCCCCCCCCCNc1ncccn1.
What is the InChIKey of N-(9-azidononyl)pyrimidin-2-amine?
The InChIKey is QTIJMAITPHWBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c14-19-18-12-7-5-3-1-2-4-6-9-15-13-16-10-8-11-17-13/h8,10-11H,1-7,9,12H2,(H,15,16,17).
What are the key properties of N-(9-azidononyl)pyrimidin-2-amine?
N-(9-azidononyl)pyrimidin-2-amine has a molecular weight of 262.36 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-azidononyl)pyrimidin-2-amine is sourced from PubChem (CID 71236787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).