(2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone

C17H20N4O2 — CID 110116322

IUPAC(2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
SMILESCc1ncccc1C(=O)N1CCOC(CCc2ccncn2)C1
InChIInChI=1S/C17H20N4O2/c1-13-16(3-2-7-19-13)17(22)21-9-10-23-15(11-21)5-4-14-6-8-18-12-20-14/h2-3,6-8,12,15H,4-5,9-11H2,1H3
InChIKeyHBYHYIAIEHKFKX-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.65
Rot. Bonds4

About (2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone

(2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone (PubChem CID 110116322) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
PubChem CID110116322
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
SMILESCc1ncccc1C(=O)N1CCOC(CCc2ccncn2)C1
InChIInChI=1S/C17H20N4O2/c1-13-16(3-2-7-19-13)17(22)21-9-10-23-15(11-21)5-4-14-6-8-18-12-20-14/h2-3,6-8,12,15H,4-5,9-11H2,1H3
InChIKeyHBYHYIAIEHKFKX-UHFFFAOYSA-N
XLogP1.65
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyrimidin-2-yl-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124961131
(5-methylpyrazin-2-yl)-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 125018190
(5-methylpyrazin-2-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116321
(2-methyl-3-pyridinyl)-[(6R)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124989259
[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986520
[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986519
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
[3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124997143
[3-(methoxymethyl)phenyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110119032
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116424
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
CID 125005930
1-benzothiophen-2-yl-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124940586

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone (CID 110116322) is (2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone is Cc1ncccc1C(=O)N1CCOC(CCc2ccncn2)C1.
What is the InChIKey of (2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
The InChIKey is HBYHYIAIEHKFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-16(3-2-7-19-13)17(22)21-9-10-23-15(11-21)5-4-14-6-8-18-12-20-14/h2-3,6-8,12,15H,4-5,9-11H2,1H3.
What are the key properties of (2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
(2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone has a molecular weight of 312.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 110116322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).