[(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone

C16H22N6O3 — CID 95847560

IUPAC[(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESCOCCNc1cc([C@H]2CN(C(=O)c3ccn[nH]3)CCO2)nc(C)n1
InChIInChI=1S/C16H22N6O3/c1-11-19-13(9-15(20-11)17-5-7-24-2)14-10-22(6-8-25-14)16(23)12-3-4-18-21-12/h3-4,9,14H,5-8,10H2,1-2H3,(H,18,21)(H,17,19,20)/t14-/m1/s1
InChIKeyAKMRZZIQVGNEMB-CQSZACIVSA-N
MW346.39 g/mol
LogP0.78
Rot. Bonds6

About [(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone

[(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 95847560) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is [(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID95847560
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name[(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESCOCCNc1cc([C@H]2CN(C(=O)c3ccn[nH]3)CCO2)nc(C)n1
InChIInChI=1S/C16H22N6O3/c1-11-19-13(9-15(20-11)17-5-7-24-2)14-10-22(6-8-25-14)16(23)12-3-4-18-21-12/h3-4,9,14H,5-8,10H2,1-2H3,(H,18,21)(H,17,19,20)/t14-/m1/s1
InChIKeyAKMRZZIQVGNEMB-CQSZACIVSA-N
XLogP0.78
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124993182
N-(2-methoxyethyl)-2-methyl-6-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 110271353
2-[2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-N,N-dimethylacetamide
CID 110271844
1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
CID 95846964
N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 95847567
1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
CID 95847712
1-[2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
CID 110271925
[2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81208376
[2-(chloromethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81209890
1H-pyrazol-5-yl-[2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
CID 155983957
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95847596
[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 75391938

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone (CID 95847560) is [(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone is COCCNc1cc([C@H]2CN(C(=O)c3ccn[nH]3)CCO2)nc(C)n1.
What is the InChIKey of [(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is AKMRZZIQVGNEMB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-11-19-13(9-15(20-11)17-5-7-24-2)14-10-22(6-8-25-14)16(23)12-3-4-18-21-12/h3-4,9,14H,5-8,10H2,1-2H3,(H,18,21)(H,17,19,20)/t14-/m1/s1.
What are the key properties of [(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
[(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 346.39 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 95847560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).