(4,6-dimethoxypyrimidin-2-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone

C13H16F3N3O4 — CID 138017658

IUPAC(4,6-dimethoxypyrimidin-2-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCOc1cc(OC)nc(C(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3O4/c1-7-10(13(14,15)16)19(4-5-23-7)12(20)11-17-8(21-2)6-9(18-11)22-3/h6-7,10H,4-5H2,1-3H3/t7-,10-/m0/s1
InChIKeyLHDQNQWJPIPUAI-XVKPBYJWSA-N
MW335.28 g/mol
LogP1.29
Rot. Bonds3

About (4,6-dimethoxypyrimidin-2-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone

(4,6-dimethoxypyrimidin-2-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 138017658) has the molecular formula C13H16F3N3O4 and a molecular weight of 335.28 g/mol. Its IUPAC name is (4,6-dimethoxypyrimidin-2-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4,6-dimethoxypyrimidin-2-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID138017658
Molecular FormulaC13H16F3N3O4
Molecular Weight335.28 g/mol
Exact Mass335.11
IUPAC Name(4,6-dimethoxypyrimidin-2-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCOc1cc(OC)nc(C(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3O4/c1-7-10(13(14,15)16)19(4-5-23-7)12(20)11-17-8(21-2)6-9(18-11)22-3/h6-7,10H,4-5H2,1-3H3/t7-,10-/m0/s1
InChIKeyLHDQNQWJPIPUAI-XVKPBYJWSA-N
XLogP1.29
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxypyrimidin-2-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of (4,6-dimethoxypyrimidin-2-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone (CID 138017658) is (4,6-dimethoxypyrimidin-2-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4,6-dimethoxypyrimidin-2-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for (4,6-dimethoxypyrimidin-2-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone is COc1cc(OC)nc(C(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)n1.
What is the InChIKey of (4,6-dimethoxypyrimidin-2-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is LHDQNQWJPIPUAI-XVKPBYJWSA-N. The full InChI is InChI=1S/C13H16F3N3O4/c1-7-10(13(14,15)16)19(4-5-23-7)12(20)11-17-8(21-2)6-9(18-11)22-3/h6-7,10H,4-5H2,1-3H3/t7-,10-/m0/s1.
What are the key properties of (4,6-dimethoxypyrimidin-2-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone?
(4,6-dimethoxypyrimidin-2-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 335.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxypyrimidin-2-yl)-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 138017658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).