2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine

C16H30N4O — CID 80983933

IUPAC2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)(C)C)nc(NCCCCOC)c1C
InChIInChI=1S/C16H30N4O/c1-7-17-13-12(2)14(18-10-8-9-11-21-6)20-15(19-13)16(3,4)5/h7-11H2,1-6H3,(H2,17,18,19,20)
InChIKeyAGLLCZLXJRTBEP-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.35
Rot. Bonds8

About 2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine

2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80983933) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80983933
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)(C)C)nc(NCCCCOC)c1C
InChIInChI=1S/C16H30N4O/c1-7-17-13-12(2)14(18-10-8-9-11-21-6)20-15(19-13)16(3,4)5/h7-11H2,1-6H3,(H2,17,18,19,20)
InChIKeyAGLLCZLXJRTBEP-UHFFFAOYSA-N
XLogP3.35
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine
CID 81006868
2-tert-butyl-N-ethyl-6-(3-methoxypropoxy)-5-methylpyrimidin-4-amine
CID 80987964
2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine
CID 80982152
2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
CID 80985152
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80982199
2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine
CID 82941053
2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80987650
N-(4-methoxybutyl)-3-methylpyrazin-2-amine
CID 83063291
2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
CID 114471120
3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine
CID 102759816
2-tert-butyl-6-N,5-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80983862
2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458804

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine (CID 80983933) is 2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine is CCNc1nc(C(C)(C)C)nc(NCCCCOC)c1C.
What is the InChIKey of 2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is AGLLCZLXJRTBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-17-13-12(2)14(18-10-8-9-11-21-6)20-15(19-13)16(3,4)5/h7-11H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine?
2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80983933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).