N-(14-azidotetradecyl)pyrimidin-2-amine

C18H32N6 — CID 71236675

IUPACN-(14-azidotetradecyl)pyrimidin-2-amine
SMILES[N-]=[N+]=NCCCCCCCCCCCCCCNc1ncccn1
InChIInChI=1S/C18H32N6/c19-24-23-17-12-10-8-6-4-2-1-3-5-7-9-11-14-20-18-21-15-13-16-22-18/h13,15-16H,1-12,14,17H2,(H,20,21,22)
InChIKeyLRYWMKUDTLUZJW-UHFFFAOYSA-N
MW332.50 g/mol
LogP5.88
Rot. Bonds16

About N-(14-azidotetradecyl)pyrimidin-2-amine

N-(14-azidotetradecyl)pyrimidin-2-amine (PubChem CID 71236675) has the molecular formula C18H32N6 and a molecular weight of 332.50 g/mol. Its IUPAC name is N-(14-azidotetradecyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(14-azidotetradecyl)pyrimidin-2-amine
PubChem CID71236675
Molecular FormulaC18H32N6
Molecular Weight332.50 g/mol
Exact Mass332.27
IUPAC NameN-(14-azidotetradecyl)pyrimidin-2-amine
SMILES[N-]=[N+]=NCCCCCCCCCCCCCCNc1ncccn1
InChIInChI=1S/C18H32N6/c19-24-23-17-12-10-8-6-4-2-1-3-5-7-9-11-14-20-18-21-15-13-16-22-18/h13,15-16H,1-12,14,17H2,(H,20,21,22)
InChIKeyLRYWMKUDTLUZJW-UHFFFAOYSA-N
XLogP5.88
TPSA86.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.50
LogP ≤ 55.88
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-(9-azidononyl)pyrimidin-2-amine
CID 71236787
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-(14-azidotetradecyl)pyrimidin-2-amine?
The IUPAC name of N-(14-azidotetradecyl)pyrimidin-2-amine (CID 71236675) is N-(14-azidotetradecyl)pyrimidin-2-amine.
What is the SMILES notation for N-(14-azidotetradecyl)pyrimidin-2-amine?
The canonical SMILES for N-(14-azidotetradecyl)pyrimidin-2-amine is [N-]=[N+]=NCCCCCCCCCCCCCCNc1ncccn1.
What is the InChIKey of N-(14-azidotetradecyl)pyrimidin-2-amine?
The InChIKey is LRYWMKUDTLUZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6/c19-24-23-17-12-10-8-6-4-2-1-3-5-7-9-11-14-20-18-21-15-13-16-22-18/h13,15-16H,1-12,14,17H2,(H,20,21,22).
What are the key properties of N-(14-azidotetradecyl)pyrimidin-2-amine?
N-(14-azidotetradecyl)pyrimidin-2-amine has a molecular weight of 332.50 g/mol, XLogP of 5.88, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(14-azidotetradecyl)pyrimidin-2-amine is sourced from PubChem (CID 71236675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).