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

C20H19FN4O4 — CID 92594288

IUPAC(2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone
SMILESCOc1cc(C(=O)N2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)nc(OC)n1
InChIInChI=1S/C20H19FN4O4/c1-27-18-9-16(23-20(24-18)28-2)19(26)25-5-6-29-17(11-25)15-8-13-7-14(21)4-3-12(13)10-22-15/h3-4,7-10,17H,5-6,11H2,1-2H3/t17-/m0/s1
InChIKeyADDSFGSWXDSOQE-KRWDZBQOSA-N
MW398.39 g/mol
LogP2.39
Rot. Bonds4

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

(2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone (PubChem CID 92594288) has the molecular formula C20H19FN4O4 and a molecular weight of 398.39 g/mol. Its IUPAC name is (2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone
PubChem CID92594288
Molecular FormulaC20H19FN4O4
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC Name(2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone
SMILESCOc1cc(C(=O)N2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)nc(OC)n1
InChIInChI=1S/C20H19FN4O4/c1-27-18-9-16(23-20(24-18)28-2)19(26)25-5-6-29-17(11-25)15-8-13-7-14(21)4-3-12(13)10-22-15/h3-4,7-10,17H,5-6,11H2,1-2H3/t17-/m0/s1
InChIKeyADDSFGSWXDSOQE-KRWDZBQOSA-N
XLogP2.39
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone with MolForge

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Related Compounds

[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92598325
[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone
CID 92611268
1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 92578316
3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one
CID 110218682
[(2R)-2-(2,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124618941
4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
CID 110218665
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
CID 92600896
[2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 60958921
[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 125016156
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 56750315
(5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 124963745
[2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 127251451

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone (CID 92594288) is (2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone is COc1cc(C(=O)N2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)nc(OC)n1.
What is the InChIKey of (2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone?
The InChIKey is ADDSFGSWXDSOQE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19FN4O4/c1-27-18-9-16(23-20(24-18)28-2)19(26)25-5-6-29-17(11-25)15-8-13-7-14(21)4-3-12(13)10-22-15/h3-4,7-10,17H,5-6,11H2,1-2H3/t17-/m0/s1.
What are the key properties of (2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone?
(2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone has a molecular weight of 398.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 92594288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).