[2-(diethylamino)-6-methylpyrimidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

C16H26N4O2 — CID 95739255

IUPAC[2-(diethylamino)-6-methylpyrimidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCCN(CC)c1nc(C)cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C16H26N4O2/c1-6-19(7-2)16-17-11(3)8-14(18-16)15(21)20-9-12(4)22-13(5)10-20/h8,12-13H,6-7,9-10H2,1-5H3/t12-,13-/m0/s1
InChIKeyGJJWHKHCTFFAPE-STQMWFEESA-N
MW306.41 g/mol
LogP1.88
Rot. Bonds4

About [2-(diethylamino)-6-methylpyrimidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

[2-(diethylamino)-6-methylpyrimidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 95739255) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [2-(diethylamino)-6-methylpyrimidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(diethylamino)-6-methylpyrimidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID95739255
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[2-(diethylamino)-6-methylpyrimidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCCN(CC)c1nc(C)cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C16H26N4O2/c1-6-19(7-2)16-17-11(3)8-14(18-16)15(21)20-9-12(4)22-13(5)10-20/h8,12-13H,6-7,9-10H2,1-5H3/t12-,13-/m0/s1
InChIKeyGJJWHKHCTFFAPE-STQMWFEESA-N
XLogP1.88
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-6-methylpyrimidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [2-(diethylamino)-6-methylpyrimidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 95739255) is [2-(diethylamino)-6-methylpyrimidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [2-(diethylamino)-6-methylpyrimidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [2-(diethylamino)-6-methylpyrimidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is CCN(CC)c1nc(C)cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of [2-(diethylamino)-6-methylpyrimidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is GJJWHKHCTFFAPE-STQMWFEESA-N. The full InChI is InChI=1S/C16H26N4O2/c1-6-19(7-2)16-17-11(3)8-14(18-16)15(21)20-9-12(4)22-13(5)10-20/h8,12-13H,6-7,9-10H2,1-5H3/t12-,13-/m0/s1.
What are the key properties of [2-(diethylamino)-6-methylpyrimidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-6-methylpyrimidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 95739255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).