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

C16H30N4 — CID 115327660

IUPAC6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NCCCCC(C)C)c1C
InChIInChI=1S/C16H30N4/c1-6-14-19-15(17-7-2)13(5)16(20-14)18-11-9-8-10-12(3)4/h12H,6-11H2,1-5H3,(H2,17,18,19,20)
InChIKeyRZHPMFOUCFKUHE-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.02
Rot. Bonds9

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

6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine (PubChem CID 115327660) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
PubChem CID115327660
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NCCCCC(C)C)c1C
InChIInChI=1S/C16H30N4/c1-6-14-19-15(17-7-2)13(5)16(20-14)18-11-9-8-10-12(3)4/h12H,6-11H2,1-5H3,(H2,17,18,19,20)
InChIKeyRZHPMFOUCFKUHE-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
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

4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol
CID 80992163
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine
CID 115327725
6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
CID 80987776
6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327702
6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine
CID 80987059
6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
CID 107818951
5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138744
3-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propane-1-sulfonamide
CID 80982715
4-N-[2-(diethylamino)ethyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80980989
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80982199
6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80976798

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine (CID 115327660) is 6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine is CCNc1nc(CC)nc(NCCCCC(C)C)c1C.
What is the InChIKey of 6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine?
The InChIKey is RZHPMFOUCFKUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-14-19-15(17-7-2)13(5)16(20-14)18-11-9-8-10-12(3)4/h12H,6-11H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine?
6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115327660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).