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

C11H19N5O — CID 80655372

IUPAC[6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(CN2CCCOCC2)n1
InChIInChI=1S/C11H19N5O/c1-9-7-10(15-12)14-11(13-9)8-16-3-2-5-17-6-4-16/h7H,2-6,8,12H2,1H3,(H,13,14,15)
InChIKeyLVJPNXAVXVNDIB-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.29
Rot. Bonds3

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

[6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine (PubChem CID 80655372) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is [6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine
PubChem CID80655372
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name[6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(CN2CCCOCC2)n1
InChIInChI=1S/C11H19N5O/c1-9-7-10(15-12)14-11(13-9)8-16-3-2-5-17-6-4-16/h7H,2-6,8,12H2,1H3,(H,13,14,15)
InChIKeyLVJPNXAVXVNDIB-UHFFFAOYSA-N
XLogP0.29
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.29
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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Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine (CID 80655372) is [6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine is Cc1cc(NN)nc(CN2CCCOCC2)n1.
What is the InChIKey of [6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is LVJPNXAVXVNDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-9-7-10(15-12)14-11(13-9)8-16-3-2-5-17-6-4-16/h7H,2-6,8,12H2,1H3,(H,13,14,15).
What are the key properties of [6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine?
[6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 237.31 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80655372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).