(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone

C13H21N5O2 — CID 62966621

IUPAC(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone
SMILESCC(C)c1ncc(NN)c(C(=O)N2CCCOCC2)n1
InChIInChI=1S/C13H21N5O2/c1-9(2)12-15-8-10(17-14)11(16-12)13(19)18-4-3-6-20-7-5-18/h8-9,17H,3-7,14H2,1-2H3
InChIKeyBQNPAJQRHVMSRA-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.75
Rot. Bonds3

About (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone

(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone (PubChem CID 62966621) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone
PubChem CID62966621
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone
SMILESCC(C)c1ncc(NN)c(C(=O)N2CCCOCC2)n1
InChIInChI=1S/C13H21N5O2/c1-9(2)12-15-8-10(17-14)11(16-12)13(19)18-4-3-6-20-7-5-18/h8-9,17H,3-7,14H2,1-2H3
InChIKeyBQNPAJQRHVMSRA-UHFFFAOYSA-N
XLogP0.75
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone
CID 62061026
(2,2-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone
CID 62237981
(2-ethylmorpholin-4-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone
CID 62243246
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone
CID 104968886
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone
CID 100752745
azocan-1-yl-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 62021698
[5-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 62173078
(2-ethyl-5-methylpyrrolidin-1-yl)-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone
CID 83220015
(6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62968732
(5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone
CID 62155760
5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62233583
(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 104742252

Frequently Asked Questions

What is the IUPAC name of (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone (CID 62966621) is (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone is CC(C)c1ncc(NN)c(C(=O)N2CCCOCC2)n1.
What is the InChIKey of (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone?
The InChIKey is BQNPAJQRHVMSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-9(2)12-15-8-10(17-14)11(16-12)13(19)18-4-3-6-20-7-5-18/h8-9,17H,3-7,14H2,1-2H3.
What are the key properties of (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone?
(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 62966621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).