[6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone

C15H21N7O3 — CID 86284959

IUPAC[6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
SMILESCNc1ncc(C(=O)N2CCN(Cc3noc(C)n3)CC(O)C2)cn1
InChIInChI=1S/C15H21N7O3/c1-10-19-13(20-25-10)9-21-3-4-22(8-12(23)7-21)14(24)11-5-17-15(16-2)18-6-11/h5-6,12,23H,3-4,7-9H2,1-2H3,(H,16,17,18)
InChIKeyGRIPYQXWQMGGKV-UHFFFAOYSA-N
MW347.38 g/mol
LogP-0.47
Rot. Bonds4

About [6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone

[6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone (PubChem CID 86284959) has the molecular formula C15H21N7O3 and a molecular weight of 347.38 g/mol. Its IUPAC name is [6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
PubChem CID86284959
Molecular FormulaC15H21N7O3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name[6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
SMILESCNc1ncc(C(=O)N2CCN(Cc3noc(C)n3)CC(O)C2)cn1
InChIInChI=1S/C15H21N7O3/c1-10-19-13(20-25-10)9-21-3-4-22(8-12(23)7-21)14(24)11-5-17-15(16-2)18-6-11/h5-6,12,23H,3-4,7-9H2,1-2H3,(H,16,17,18)
InChIKeyGRIPYQXWQMGGKV-UHFFFAOYSA-N
XLogP-0.47
TPSA120.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone with MolForge

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Related Compounds

[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(4-pyrimidin-5-ylphenyl)methanone
CID 119066090
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone
CID 119071153
[5-chloro-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133314369
azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone
CID 95316835
[6-hydroxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 74246960
[4-(2-ethoxyethyl)-6-hydroxy-1,4-diazepan-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 74237289
(4-chloro-3-fluorophenyl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 132971521
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 97277137
4-(methylamino)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119881727
(3R)-N-(3-methylbut-2-enyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 95606411
N-(3-methylbut-2-enyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 56779683
[(1S)-2,2-dichloro-1-methylcyclopropyl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 95623376

Frequently Asked Questions

What is the IUPAC name of [6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone?
The IUPAC name of [6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone (CID 86284959) is [6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for [6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for [6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone is CNc1ncc(C(=O)N2CCN(Cc3noc(C)n3)CC(O)C2)cn1.
What is the InChIKey of [6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone?
The InChIKey is GRIPYQXWQMGGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O3/c1-10-19-13(20-25-10)9-21-3-4-22(8-12(23)7-21)14(24)11-5-17-15(16-2)18-6-11/h5-6,12,23H,3-4,7-9H2,1-2H3,(H,16,17,18).
What are the key properties of [6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone?
[6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone has a molecular weight of 347.38 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 86284959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).