2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine

C16H26N4O — CID 80956653

IUPAC2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CC3CCC2O3)nc(C(C)(C)C)n1
InChIInChI=1S/C16H26N4O/c1-5-17-13-9-14(20-15(19-13)16(2,3)4)18-11-8-10-6-7-12(11)21-10/h9-12H,5-8H2,1-4H3,(H2,17,18,19,20)
InChIKeyOUURCWSFNVUCTE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.94
Rot. Bonds4

About 2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine

2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80956653) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
PubChem CID80956653
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CC3CCC2O3)nc(C(C)(C)C)n1
InChIInChI=1S/C16H26N4O/c1-5-17-13-9-14(20-15(19-13)16(2,3)4)18-11-8-10-6-7-12(11)21-10/h9-12H,5-8H2,1-4H3,(H2,17,18,19,20)
InChIKeyOUURCWSFNVUCTE-UHFFFAOYSA-N
XLogP2.94
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine
CID 80958191
6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine
CID 80947083
2-(ethylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-carboxamide
CID 80601928
6-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
CID 80720746
3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80959795
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 80602272
6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771675
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80958635
4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80935219
2-tert-butyl-N-(2-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine
CID 80963881
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine
CID 80968134

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine (CID 80956653) is 2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine is CCNc1cc(NC2CC3CCC2O3)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is OUURCWSFNVUCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-5-17-13-9-14(20-15(19-13)16(2,3)4)18-11-8-10-6-7-12(11)21-10/h9-12H,5-8H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine?
2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 290.41 g/mol, XLogP of 2.94, 4 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-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80956653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).