6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine

C16H30N4 — CID 107818951

IUPAC6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCCCCCC(C)C)c1C
InChIInChI=1S/C16H30N4/c1-12(2)10-8-6-7-9-11-18-16-13(3)15(17-5)19-14(4)20-16/h12H,6-11H2,1-5H3,(H2,17,18,19,20)
InChIKeyHCJGWYAFYOPHDR-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.15
Rot. Bonds9

About 6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine

6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine (PubChem CID 107818951) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
PubChem CID107818951
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCCCCCC(C)C)c1C
InChIInChI=1S/C16H30N4/c1-12(2)10-8-6-7-9-11-18-16-13(3)15(17-5)19-14(4)20-16/h12H,6-11H2,1-5H3,(H2,17,18,19,20)
InChIKeyHCJGWYAFYOPHDR-UHFFFAOYSA-N
XLogP4.15
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327702
2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine
CID 115327725
4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80777376
6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327660
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine
CID 113490924
6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831901
4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 115409413
6-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855008
6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
CID 107818952
6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783396
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669

Frequently Asked Questions

What is the IUPAC name of 6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine (CID 107818951) is 6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine is CNc1nc(C)nc(NCCCCCCC(C)C)c1C.
What is the InChIKey of 6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine?
The InChIKey is HCJGWYAFYOPHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12(2)10-8-6-7-9-11-18-16-13(3)15(17-5)19-14(4)20-16/h12H,6-11H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine?
6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 107818951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).