2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine

C15H28N4O — CID 80983794

IUPAC2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)(C)C)nc(N(C)CCCOC)c1C
InChIInChI=1S/C15H28N4O/c1-11-12(16-5)17-14(15(2,3)4)18-13(11)19(6)9-8-10-20-7/h8-10H2,1-7H3,(H,16,17,18)
InChIKeyIVLKIXQXTAQOSI-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.60
Rot. Bonds6

About 2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80983794) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
PubChem CID80983794
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)(C)C)nc(N(C)CCCOC)c1C
InChIInChI=1S/C15H28N4O/c1-11-12(16-5)17-14(15(2,3)4)18-13(11)19(6)9-8-10-20-7/h8-10H2,1-7H3,(H,16,17,18)
InChIKeyIVLKIXQXTAQOSI-UHFFFAOYSA-N
XLogP2.60
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
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-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80993292
4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80823623
2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988043
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80984473
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 80981578
3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80993315
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80986264
2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80984884
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 80995833
4-N-[3-(dimethylamino)propyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80845627
2-tert-butyl-4-N-[2-(dimethylamino)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981185
4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80753501

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine (CID 80983794) is 2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine is CNc1nc(C(C)(C)C)nc(N(C)CCCOC)c1C.
What is the InChIKey of 2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is IVLKIXQXTAQOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-11-12(16-5)17-14(15(2,3)4)18-13(11)19(6)9-8-10-20-7/h8-10H2,1-7H3,(H,16,17,18).
What are the key properties of 2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 280.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80983794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).