2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine

C16H30N4 — CID 80993292

IUPAC2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine
SMILESCCCCCN(C)c1nc(C(C)(C)C)nc(NC)c1C
InChIInChI=1S/C16H30N4/c1-8-9-10-11-20(7)14-12(2)13(17-6)18-15(19-14)16(3,4)5/h8-11H2,1-7H3,(H,17,18,19)
InChIKeyDZQVHSXFJKTTJL-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.75
Rot. Bonds6

About 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine

2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine (PubChem CID 80993292) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine
PubChem CID80993292
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine
SMILESCCCCCN(C)c1nc(C(C)(C)C)nc(NC)c1C
InChIInChI=1S/C16H30N4/c1-8-9-10-11-20(7)14-12(2)13(17-6)18-15(19-14)16(3,4)5/h8-11H2,1-7H3,(H,17,18,19)
InChIKeyDZQVHSXFJKTTJL-UHFFFAOYSA-N
XLogP3.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80983794
4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80753501
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80984473
3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80993315
3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile
CID 80977344
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80986264
2-tert-butyl-4-N-[2-(dimethylamino)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981185
2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80994196
4-N-[3-(dimethylamino)propyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80845627
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80985818
2-tert-butyl-4-N-[2-(dimethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982434
2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80993102

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine (CID 80993292) is 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine is CCCCCN(C)c1nc(C(C)(C)C)nc(NC)c1C.
What is the InChIKey of 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine?
The InChIKey is DZQVHSXFJKTTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-8-9-10-11-20(7)14-12(2)13(17-6)18-15(19-14)16(3,4)5/h8-11H2,1-7H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine?
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine is sourced from PubChem (CID 80993292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).