[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C21H28N6O2 — CID 95799249

IUPAC[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCCc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3cnc(C)cn3)CC2)n1
InChIInChI=1S/C21H28N6O2/c1-3-17-12-19(26-8-10-29-11-9-26)25-20(24-17)16-4-6-27(7-5-16)21(28)18-14-22-15(2)13-23-18/h12-14,16H,3-11H2,1-2H3
InChIKeyPJFDSXZZRBXONF-UHFFFAOYSA-N
MW396.50 g/mol
LogP1.99
Rot. Bonds4

About [4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 95799249) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is [4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID95799249
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCCc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3cnc(C)cn3)CC2)n1
InChIInChI=1S/C21H28N6O2/c1-3-17-12-19(26-8-10-29-11-9-26)25-20(24-17)16-4-6-27(7-5-16)21(28)18-14-22-15(2)13-23-18/h12-14,16H,3-11H2,1-2H3
InChIKeyPJFDSXZZRBXONF-UHFFFAOYSA-N
XLogP1.99
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95799192
1-[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone
CID 95799250
4-[6-ethyl-2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrimidin-4-yl]morpholine
CID 46960602
1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane
CID 163347871
[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95822714
4-[2-(2,2-difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane
CID 144739971
2-(1,1-dioxothiolan-3-yl)-1-[4-(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110215132
4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146079760
[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94150695
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 122279513
[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 42783455
(5-methylpyrazin-2-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 175652427

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 95799249) is [4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3cnc(C)cn3)CC2)n1.
What is the InChIKey of [4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is PJFDSXZZRBXONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-3-17-12-19(26-8-10-29-11-9-26)25-20(24-17)16-4-6-27(7-5-16)21(28)18-14-22-15(2)13-23-18/h12-14,16H,3-11H2,1-2H3.
What are the key properties of [4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 396.50 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 95799249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).