N-tert-butyl-2-tert-butyliminopyrido[3,2-b][1,4]oxazin-3-amine

C15H22N4O — CID 71658552

IUPACN-tert-butyl-2-tert-butyliminopyrido[3,2-b][1,4]oxazin-3-amine
SMILESCC(C)(C)/N=c1\oc2cccnc2nc1NC(C)(C)C
InChIInChI=1S/C15H22N4O/c1-14(2,3)18-12-13(19-15(4,5)6)20-10-8-7-9-16-11(10)17-12/h7-9H,1-6H3,(H,16,17,18)/b19-13-
InChIKeyUNLCHKIKKNKCAK-UYRXBGFRSA-N
MW274.37 g/mol
LogP3.13
Rot. Bonds1

About N-tert-butyl-2-tert-butyliminopyrido[3,2-b][1,4]oxazin-3-amine

N-tert-butyl-2-tert-butyliminopyrido[3,2-b][1,4]oxazin-3-amine (PubChem CID 71658552) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-tert-butyl-2-tert-butyliminopyrido[3,2-b][1,4]oxazin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2-tert-butyliminopyrido[3,2-b][1,4]oxazin-3-amine
PubChem CID71658552
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-tert-butyl-2-tert-butyliminopyrido[3,2-b][1,4]oxazin-3-amine
SMILESCC(C)(C)/N=c1\oc2cccnc2nc1NC(C)(C)C
InChIInChI=1S/C15H22N4O/c1-14(2,3)18-12-13(19-15(4,5)6)20-10-8-7-9-16-11(10)17-12/h7-9H,1-6H3,(H,16,17,18)/b19-13-
InChIKeyUNLCHKIKKNKCAK-UYRXBGFRSA-N
XLogP3.13
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-tert-butyliminopyrido[3,2-b][1,4]oxazin-3-amine?
The IUPAC name of N-tert-butyl-2-tert-butyliminopyrido[3,2-b][1,4]oxazin-3-amine (CID 71658552) is N-tert-butyl-2-tert-butyliminopyrido[3,2-b][1,4]oxazin-3-amine.
What is the SMILES notation for N-tert-butyl-2-tert-butyliminopyrido[3,2-b][1,4]oxazin-3-amine?
The canonical SMILES for N-tert-butyl-2-tert-butyliminopyrido[3,2-b][1,4]oxazin-3-amine is CC(C)(C)/N=c1\oc2cccnc2nc1NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-tert-butyliminopyrido[3,2-b][1,4]oxazin-3-amine?
The InChIKey is UNLCHKIKKNKCAK-UYRXBGFRSA-N. The full InChI is InChI=1S/C15H22N4O/c1-14(2,3)18-12-13(19-15(4,5)6)20-10-8-7-9-16-11(10)17-12/h7-9H,1-6H3,(H,16,17,18)/b19-13-.
What are the key properties of N-tert-butyl-2-tert-butyliminopyrido[3,2-b][1,4]oxazin-3-amine?
N-tert-butyl-2-tert-butyliminopyrido[3,2-b][1,4]oxazin-3-amine has a molecular weight of 274.37 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-tert-butyliminopyrido[3,2-b][1,4]oxazin-3-amine is sourced from PubChem (CID 71658552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).