[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine

C13H21N5O2 — CID 113401820

IUPAC[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCOCc1nc(NN)cc(N2CCOC3CCCC32)n1
InChIInChI=1S/C13H21N5O2/c1-19-8-12-15-11(17-14)7-13(16-12)18-5-6-20-10-4-2-3-9(10)18/h7,9-10H,2-6,8,14H2,1H3,(H,15,16,17)
InChIKeyMQAOZTMXGCKRJU-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.67
Rot. Bonds4

About [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine

[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine (PubChem CID 113401820) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine
PubChem CID113401820
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCOCc1nc(NN)cc(N2CCOC3CCCC32)n1
InChIInChI=1S/C13H21N5O2/c1-19-8-12-15-11(17-14)7-13(16-12)18-5-6-20-10-4-2-3-9(10)18/h7,9-10H,2-6,8,14H2,1H3,(H,15,16,17)
InChIKeyMQAOZTMXGCKRJU-UHFFFAOYSA-N
XLogP0.67
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazin-2-yl]hydrazine
CID 80901213
[2-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80936973
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropylpyrimidin-4-amine
CID 80961930
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
CID 80812889
(4aR,8aR)-1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727533
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80930524
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80968593
1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80937172
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198752
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine
CID 115320628
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
CID 80812642
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-chloropyridine-4-carbonitrile
CID 83076239

Frequently Asked Questions

What is the IUPAC name of [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine (CID 113401820) is [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine is COCc1nc(NN)cc(N2CCOC3CCCC32)n1.
What is the InChIKey of [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is MQAOZTMXGCKRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-19-8-12-15-11(17-14)7-13(16-12)18-5-6-20-10-4-2-3-9(10)18/h7,9-10H,2-6,8,14H2,1H3,(H,15,16,17).
What are the key properties of [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine?
[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 279.34 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 113401820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).