[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone

C18H23N5O2 — CID 128971349

IUPAC[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone
SMILESCCc1cnccc1C(=O)N1CCOC(c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C18H23N5O2/c1-4-13-11-19-7-5-14(13)17(24)23-9-10-25-16(12-23)15-6-8-20-18(21-15)22(2)3/h5-8,11,16H,4,9-10,12H2,1-3H3
InChIKeyNDGQVWFIGKGNAF-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.71
Rot. Bonds4

About [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone

[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone (PubChem CID 128971349) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone
PubChem CID128971349
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone
SMILESCCc1cnccc1C(=O)N1CCOC(c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C18H23N5O2/c1-4-13-11-19-7-5-14(13)17(24)23-9-10-25-16(12-23)15-6-8-20-18(21-15)22(2)3/h5-8,11,16H,4,9-10,12H2,1-3H3
InChIKeyNDGQVWFIGKGNAF-UHFFFAOYSA-N
XLogP1.71
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128964934
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 128974121
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 129478934
1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one
CID 129479017
[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone
CID 129478452
cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128995208
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone
CID 128964972
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-pyrrol-3-yl)methanone
CID 128964952
(4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128971704
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 129328387
[(1R,2S)-2-cyclopropylcyclopropyl]-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 129341565
2-[[(2R)-4-(3-ethylpyridine-4-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide
CID 129340878

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone?
The IUPAC name of [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone (CID 128971349) is [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone.
What is the SMILES notation for [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone?
The canonical SMILES for [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone is CCc1cnccc1C(=O)N1CCOC(c2ccnc(N(C)C)n2)C1.
What is the InChIKey of [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone?
The InChIKey is NDGQVWFIGKGNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-4-13-11-19-7-5-14(13)17(24)23-9-10-25-16(12-23)15-6-8-20-18(21-15)22(2)3/h5-8,11,16H,4,9-10,12H2,1-3H3.
What are the key properties of [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone?
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone has a molecular weight of 341.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone is sourced from PubChem (CID 128971349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).