6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine

C15H28N4 — CID 115565379

IUPAC6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
SMILESCCCCCCCCNc1ncnc(NCC)c1C
InChIInChI=1S/C15H28N4/c1-4-6-7-8-9-10-11-17-15-13(3)14(16-5-2)18-12-19-15/h12H,4-11H2,1-3H3,(H2,16,17,18,19)
InChIKeyXPGHFXVCFSUOBT-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.99
Rot. Bonds10

About 6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine (PubChem CID 115565379) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
PubChem CID115565379
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
SMILESCCCCCCCCNc1ncnc(NCC)c1C
InChIInChI=1S/C15H28N4/c1-4-6-7-8-9-10-11-17-15-13(3)14(16-5-2)18-12-19-15/h12H,4-11H2,1-3H3,(H2,16,17,18,19)
InChIKeyXPGHFXVCFSUOBT-UHFFFAOYSA-N
XLogP3.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.99
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-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol
CID 114009546
N-hexyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66325235
N-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 63729913
6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 106042300
4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine
CID 19142423
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine
CID 80985625
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide
CID 80787743
5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
CID 80866591
5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014837
4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 103466542

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine (CID 115565379) is 6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine is CCCCCCCCNc1ncnc(NCC)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine?
The InChIKey is XPGHFXVCFSUOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-6-7-8-9-10-11-17-15-13(3)14(16-5-2)18-12-19-15/h12H,4-11H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine is sourced from PubChem (CID 115565379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).