2-[(2S)-2-[4-[2-(diethylamino)ethoxy]phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one

C26H32FN5O3 — CID 11691524

IUPAC2-[(2S)-2-[4-[2-(diethylamino)ethoxy]phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
SMILESCCN(CC)CCOc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1
InChIInChI=1S/C26H32FN5O3/c1-4-31(5-2)12-14-34-20-8-6-19(7-9-20)24-18-32(13-15-35-24)26-29-23(16-25(33)30(26)3)21-10-11-28-17-22(21)27/h6-11,16-17,24H,4-5,12-15,18H2,1-3H3/t24-/m1/s1
InChIKeyOCYHRDYSECYFSR-XMMPIXPASA-N
MW481.57 g/mol
LogP3.28
Rot. Bonds9

About 2-[(2S)-2-[4-[2-(diethylamino)ethoxy]phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one

2-[(2S)-2-[4-[2-(diethylamino)ethoxy]phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one (PubChem CID 11691524) has the molecular formula C26H32FN5O3 and a molecular weight of 481.57 g/mol. Its IUPAC name is 2-[(2S)-2-[4-[2-(diethylamino)ethoxy]phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-[(2S)-2-[4-[2-(diethylamino)ethoxy]phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
PubChem CID11691524
Molecular FormulaC26H32FN5O3
Molecular Weight481.57 g/mol
Exact Mass481.25
IUPAC Name2-[(2S)-2-[4-[2-(diethylamino)ethoxy]phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
SMILESCCN(CC)CCOc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1
InChIInChI=1S/C26H32FN5O3/c1-4-31(5-2)12-14-34-20-8-6-19(7-9-20)24-18-32(13-15-35-24)26-29-23(16-25(33)30(26)3)21-10-11-28-17-22(21)27/h6-11,16-17,24H,4-5,12-15,18H2,1-3H3/t24-/m1/s1
InChIKeyOCYHRDYSECYFSR-XMMPIXPASA-N
XLogP3.28
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[4-[2-(diethylamino)ethoxy]phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
The IUPAC name of 2-[(2S)-2-[4-[2-(diethylamino)ethoxy]phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one (CID 11691524) is 2-[(2S)-2-[4-[2-(diethylamino)ethoxy]phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-[(2S)-2-[4-[2-(diethylamino)ethoxy]phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-[(2S)-2-[4-[2-(diethylamino)ethoxy]phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one is CCN(CC)CCOc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1.
What is the InChIKey of 2-[(2S)-2-[4-[2-(diethylamino)ethoxy]phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
The InChIKey is OCYHRDYSECYFSR-XMMPIXPASA-N. The full InChI is InChI=1S/C26H32FN5O3/c1-4-31(5-2)12-14-34-20-8-6-19(7-9-20)24-18-32(13-15-35-24)26-29-23(16-25(33)30(26)3)21-10-11-28-17-22(21)27/h6-11,16-17,24H,4-5,12-15,18H2,1-3H3/t24-/m1/s1.
What are the key properties of 2-[(2S)-2-[4-[2-(diethylamino)ethoxy]phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
2-[(2S)-2-[4-[2-(diethylamino)ethoxy]phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one has a molecular weight of 481.57 g/mol, XLogP of 3.28, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[4-[2-(diethylamino)ethoxy]phenyl]morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 11691524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).