N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine

C16H20N8 — CID 133472424

IUPACN-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
SMILESCCc1cc(NCCNc2nnnn2-c2ccccc2)nc(C)n1
InChIInChI=1S/C16H20N8/c1-3-13-11-15(20-12(2)19-13)17-9-10-18-16-21-22-23-24(16)14-7-5-4-6-8-14/h4-8,11H,3,9-10H2,1-2H3,(H,17,19,20)(H,18,21,23)
InChIKeyBRULKMWNKXCZDI-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.85
Rot. Bonds7

About N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine

N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine (PubChem CID 133472424) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
PubChem CID133472424
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC NameN-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
SMILESCCc1cc(NCCNc2nnnn2-c2ccccc2)nc(C)n1
InChIInChI=1S/C16H20N8/c1-3-13-11-15(20-12(2)19-13)17-9-10-18-16-21-22-23-24(16)14-7-5-4-6-8-14/h4-8,11H,3,9-10H2,1-2H3,(H,17,19,20)(H,18,21,23)
InChIKeyBRULKMWNKXCZDI-UHFFFAOYSA-N
XLogP1.85
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine
CID 60967739
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile
CID 133412520
6-ethyl-2-methyl-N-[(1-phenyltriazol-4-yl)methyl]pyrimidin-4-amine
CID 133472311
6-ethyl-2-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 65417794
N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9250575
N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133354402
6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide
CID 133412546
1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine
CID 9107188
N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133412491
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine (CID 133472424) is N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine is CCc1cc(NCCNc2nnnn2-c2ccccc2)nc(C)n1.
What is the InChIKey of N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine?
The InChIKey is BRULKMWNKXCZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-3-13-11-15(20-12(2)19-13)17-9-10-18-16-21-22-23-24(16)14-7-5-4-6-8-14/h4-8,11H,3,9-10H2,1-2H3,(H,17,19,20)(H,18,21,23).
What are the key properties of N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine?
N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine has a molecular weight of 324.39 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 133472424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).