2-[[(2R,5S,6S)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine

C16H22N4O2 — CID 142852626

IUPAC2-[[(2R,5S,6S)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine
SMILESC[C@@H]1O[C@@H](COc2nc(N)c3ccccc3n2)CN(C)[C@H]1C
InChIInChI=1S/C16H22N4O2/c1-10-11(2)22-12(8-20(10)3)9-21-16-18-14-7-5-4-6-13(14)15(17)19-16/h4-7,10-12H,8-9H2,1-3H3,(H2,17,18,19)/t10-,11-,12+/m0/s1
InChIKeyXFRMBPKDNNEEDG-SDDRHHMPSA-N
MW302.38 g/mol
LogP1.70
Rot. Bonds3

About 2-[[(2R,5S,6S)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine

2-[[(2R,5S,6S)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine (PubChem CID 142852626) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[[(2R,5S,6S)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[(2R,5S,6S)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine
PubChem CID142852626
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[[(2R,5S,6S)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine
SMILESC[C@@H]1O[C@@H](COc2nc(N)c3ccccc3n2)CN(C)[C@H]1C
InChIInChI=1S/C16H22N4O2/c1-10-11(2)22-12(8-20(10)3)9-21-16-18-14-7-5-4-6-13(14)15(17)19-16/h4-7,10-12H,8-9H2,1-3H3,(H2,17,18,19)/t10-,11-,12+/m0/s1
InChIKeyXFRMBPKDNNEEDG-SDDRHHMPSA-N
XLogP1.70
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,5S,6S)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine?
The IUPAC name of 2-[[(2R,5S,6S)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine (CID 142852626) is 2-[[(2R,5S,6S)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine.
What is the SMILES notation for 2-[[(2R,5S,6S)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine?
The canonical SMILES for 2-[[(2R,5S,6S)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine is C[C@@H]1O[C@@H](COc2nc(N)c3ccccc3n2)CN(C)[C@H]1C.
What is the InChIKey of 2-[[(2R,5S,6S)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine?
The InChIKey is XFRMBPKDNNEEDG-SDDRHHMPSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10-11(2)22-12(8-20(10)3)9-21-16-18-14-7-5-4-6-13(14)15(17)19-16/h4-7,10-12H,8-9H2,1-3H3,(H2,17,18,19)/t10-,11-,12+/m0/s1.
What are the key properties of 2-[[(2R,5S,6S)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine?
2-[[(2R,5S,6S)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,5S,6S)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine is sourced from PubChem (CID 142852626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).