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

C14H26N4 — CID 115327702

IUPAC6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCCCC(C)C)c1C
InChIInChI=1S/C14H26N4/c1-10(2)8-6-7-9-16-14-11(3)13(15-5)17-12(4)18-14/h10H,6-9H2,1-5H3,(H2,15,16,17,18)
InChIKeyOCGJQDMONHRTGS-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.37
Rot. Bonds7

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

6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine (PubChem CID 115327702) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
PubChem CID115327702
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCCCC(C)C)c1C
InChIInChI=1S/C14H26N4/c1-10(2)8-6-7-9-16-14-11(3)13(15-5)17-12(4)18-14/h10H,6-9H2,1-5H3,(H2,15,16,17,18)
InChIKeyOCGJQDMONHRTGS-UHFFFAOYSA-N
XLogP3.37
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.37
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-(7-methyloctyl)pyrimidine-4,6-diamine
CID 107818951
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
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783396
4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 114129076
6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80795484

Frequently Asked Questions

What is the IUPAC name of 6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine (CID 115327702) is 6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine is CNc1nc(C)nc(NCCCCC(C)C)c1C.
What is the InChIKey of 6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine?
The InChIKey is OCGJQDMONHRTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-10(2)8-6-7-9-16-14-11(3)13(15-5)17-12(4)18-14/h10H,6-9H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine?
6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.37, 7 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-(5-methylhexyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115327702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).