[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone

C18H29N5O2 — CID 128964972

IUPAC[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone
SMILESCCN1CCCCC1C(=O)N1CCOC(c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C18H29N5O2/c1-4-22-10-6-5-7-15(22)17(24)23-11-12-25-16(13-23)14-8-9-19-18(20-14)21(2)3/h8-9,15-16H,4-7,10-13H2,1-3H3
InChIKeyCAPVXBXTRKNEGB-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.32
Rot. Bonds4

About [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone

[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone (PubChem CID 128964972) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone
PubChem CID128964972
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone
SMILESCCN1CCCCC1C(=O)N1CCOC(c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C18H29N5O2/c1-4-22-10-6-5-7-15(22)17(24)23-11-12-25-16(13-23)14-8-9-19-18(20-14)21(2)3/h8-9,15-16H,4-7,10-13H2,1-3H3
InChIKeyCAPVXBXTRKNEGB-UHFFFAOYSA-N
XLogP1.32
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one
CID 129479017
[(1R,2S)-2-cyclopropylcyclopropyl]-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 129341565
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone
CID 128971349
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 128974121
[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 129332793
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 129478934
(3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128964934
(2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide
CID 129492360
1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one
CID 129478782
cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128995208
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide
CID 129341058
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 129477542

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone?
The IUPAC name of [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone (CID 128964972) is [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone.
What is the SMILES notation for [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone?
The canonical SMILES for [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone is CCN1CCCCC1C(=O)N1CCOC(c2ccnc(N(C)C)n2)C1.
What is the InChIKey of [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone?
The InChIKey is CAPVXBXTRKNEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-4-22-10-6-5-7-15(22)17(24)23-11-12-25-16(13-23)14-8-9-19-18(20-14)21(2)3/h8-9,15-16H,4-7,10-13H2,1-3H3.
What are the key properties of [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone?
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone has a molecular weight of 347.46 g/mol, XLogP of 1.32, 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]-(1-ethylpiperidin-2-yl)methanone is sourced from PubChem (CID 128964972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).