[2-tert-butyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine

C14H25N5O — CID 80965044

IUPAC[2-tert-butyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine
SMILESCC1CN(c2cc(NN)nc(C(C)(C)C)n2)CCCO1
InChIInChI=1S/C14H25N5O/c1-10-9-19(6-5-7-20-10)12-8-11(18-15)16-13(17-12)14(2,3)4/h8,10H,5-7,9,15H2,1-4H3,(H,16,17,18)
InChIKeyFJKQHCUQZVNCJD-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.67
Rot. Bonds2

About [2-tert-butyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine

[2-tert-butyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80965044) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is [2-tert-butyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine
PubChem CID80965044
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name[2-tert-butyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine
SMILESCC1CN(c2cc(NN)nc(C(C)(C)C)n2)CCCO1
InChIInChI=1S/C14H25N5O/c1-10-9-19(6-5-7-20-10)12-8-11(18-15)16-13(17-12)14(2,3)4/h8,10H,5-7,9,15H2,1-4H3,(H,16,17,18)
InChIKeyFJKQHCUQZVNCJD-UHFFFAOYSA-N
XLogP1.67
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.67
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

1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102971936
[2-tert-butyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80964981
[2-tert-butyl-6-(2,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80964463
[4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine
CID 80918713
[6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106775371
[2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine
CID 113379380
6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 78929987
6-(2-methyl-1,4-oxazepan-4-yl)pyridin-2-amine
CID 80653054
2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-1H-pyrimidin-6-one
CID 136957833
1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1,4-diazepan-5-one
CID 80964373
3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80964573
2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80956623

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-tert-butyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine (CID 80965044) is [2-tert-butyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine is CC1CN(c2cc(NN)nc(C(C)(C)C)n2)CCCO1.
What is the InChIKey of [2-tert-butyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is FJKQHCUQZVNCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-10-9-19(6-5-7-20-10)12-8-11(18-15)16-13(17-12)14(2,3)4/h8,10H,5-7,9,15H2,1-4H3,(H,16,17,18).
What are the key properties of [2-tert-butyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine?
[2-tert-butyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 279.39 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80965044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).