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

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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).