N-(4-azidophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine

C14H16N6 — CID 151679394

IUPACN-(4-azidophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine
SMILESCCN(c1ccc(N=[N+]=[N-])cc1)c1nc(C)cc(C)n1
InChIInChI=1S/C14H16N6/c1-4-20(14-16-10(2)9-11(3)17-14)13-7-5-12(6-8-13)18-19-15/h5-9H,4H2,1-3H3
InChIKeyRAFAQZBJOKOOBE-UHFFFAOYSA-N
MW268.32 g/mol
LogP4.19
Rot. Bonds4

About N-(4-azidophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine

N-(4-azidophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine (PubChem CID 151679394) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(4-azidophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-azidophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine
PubChem CID151679394
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN-(4-azidophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine
SMILESCCN(c1ccc(N=[N+]=[N-])cc1)c1nc(C)cc(C)n1
InChIInChI=1S/C14H16N6/c1-4-20(14-16-10(2)9-11(3)17-14)13-7-5-12(6-8-13)18-19-15/h5-9H,4H2,1-3H3
InChIKeyRAFAQZBJOKOOBE-UHFFFAOYSA-N
XLogP4.19
TPSA77.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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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Frequently Asked Questions

What is the IUPAC name of N-(4-azidophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(4-azidophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine (CID 151679394) is N-(4-azidophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(4-azidophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(4-azidophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine is CCN(c1ccc(N=[N+]=[N-])cc1)c1nc(C)cc(C)n1.
What is the InChIKey of N-(4-azidophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine?
The InChIKey is RAFAQZBJOKOOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-4-20(14-16-10(2)9-11(3)17-14)13-7-5-12(6-8-13)18-19-15/h5-9H,4H2,1-3H3.
What are the key properties of N-(4-azidophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine?
N-(4-azidophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine has a molecular weight of 268.32 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 151679394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).