2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C20H23FN4O3 — CID 136888273

IUPAC2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESC[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccccc2F)C3)C[C@@H](C)O1
InChIInChI=1S/C20H23FN4O3/c1-12-9-25(10-13(2)28-12)20-22-17-11-24(8-7-15(17)18(26)23-20)19(27)14-5-3-4-6-16(14)21/h3-6,12-13H,7-11H2,1-2H3,(H,22,23,26)/t12-,13-/m1/s1
InChIKeyFVGLROQEOLWOGI-CHWSQXEVSA-N
MW386.43 g/mol
LogP1.72
Rot. Bonds2

About 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136888273) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136888273
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESC[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccccc2F)C3)C[C@@H](C)O1
InChIInChI=1S/C20H23FN4O3/c1-12-9-25(10-13(2)28-12)20-22-17-11-24(8-7-15(17)18(26)23-20)19(27)14-5-3-4-6-16(14)21/h3-6,12-13H,7-11H2,1-2H3,(H,22,23,26)/t12-,13-/m1/s1
InChIKeyFVGLROQEOLWOGI-CHWSQXEVSA-N
XLogP1.72
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136888273) is 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccccc2F)C3)C[C@@H](C)O1.
What is the InChIKey of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is FVGLROQEOLWOGI-CHWSQXEVSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-12-9-25(10-13(2)28-12)20-22-17-11-24(8-7-15(17)18(26)23-20)19(27)14-5-3-4-6-16(14)21/h3-6,12-13H,7-11H2,1-2H3,(H,22,23,26)/t12-,13-/m1/s1.
What are the key properties of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 386.43 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136888273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).