2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine

C12H20N4O — CID 95969720

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C12H20N4O/c1-8-5-11(13-4)15-12(14-8)16-6-9(2)17-10(3)7-16/h5,9-10H,6-7H2,1-4H3,(H,13,14,15)/t9-,10+
InChIKeyDCKKKDGDBJIOBR-AOOOYVTPSA-N
MW236.32 g/mol
LogP1.44
Rot. Bonds2

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 95969720) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine
PubChem CID95969720
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C12H20N4O/c1-8-5-11(13-4)15-12(14-8)16-6-9(2)17-10(3)7-16/h5,9-10H,6-7H2,1-4H3,(H,13,14,15)/t9-,10+
InChIKeyDCKKKDGDBJIOBR-AOOOYVTPSA-N
XLogP1.44
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine (CID 95969720) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(N2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is DCKKKDGDBJIOBR-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-5-11(13-4)15-12(14-8)16-6-9(2)17-10(3)7-16/h5,9-10H,6-7H2,1-4H3,(H,13,14,15)/t9-,10+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 95969720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).