[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone

C17H24N6O2 — CID 128974121

IUPAC[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
SMILESCCc1nn(C)cc1C(=O)N1CCOC(c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C17H24N6O2/c1-5-13-12(10-22(4)20-13)16(24)23-8-9-25-15(11-23)14-6-7-18-17(19-14)21(2)3/h6-7,10,15H,5,8-9,11H2,1-4H3
InChIKeyXMRLNDCZSNFMTN-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.05
Rot. Bonds4

About [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone

[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone (PubChem CID 128974121) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
PubChem CID128974121
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
SMILESCCc1nn(C)cc1C(=O)N1CCOC(c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C17H24N6O2/c1-5-13-12(10-22(4)20-13)16(24)23-8-9-25-15(11-23)14-6-7-18-17(19-14)21(2)3/h6-7,10,15H,5,8-9,11H2,1-4H3
InChIKeyXMRLNDCZSNFMTN-UHFFFAOYSA-N
XLogP1.05
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone
CID 128971349
1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one
CID 129479017
[(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
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-pyrrol-3-yl)methanone
CID 128964952
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone
CID 128964972
[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone
CID 129478452
4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 102810153
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 129328387
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 128964973
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

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The IUPAC name of [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone (CID 128974121) is [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone is CCc1nn(C)cc1C(=O)N1CCOC(c2ccnc(N(C)C)n2)C1.
What is the InChIKey of [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The InChIKey is XMRLNDCZSNFMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-5-13-12(10-22(4)20-13)16(24)23-8-9-25-15(11-23)14-6-7-18-17(19-14)21(2)3/h6-7,10,15H,5,8-9,11H2,1-4H3.
What are the key properties of [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone?
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone has a molecular weight of 344.42 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 128974121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).