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

C10H17N5O — CID 80918713

IUPAC[4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine
SMILESCC1CN(c2ccnc(NN)n2)CCCO1
InChIInChI=1S/C10H17N5O/c1-8-7-15(5-2-6-16-8)9-3-4-12-10(13-9)14-11/h3-4,8H,2,5-7,11H2,1H3,(H,12,13,14)
InChIKeyFFFMXSPKFZQYHS-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.38
Rot. Bonds2

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

[4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine (PubChem CID 80918713) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is [4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine
PubChem CID80918713
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name[4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine
SMILESCC1CN(c2ccnc(NN)n2)CCCO1
InChIInChI=1S/C10H17N5O/c1-8-7-15(5-2-6-16-8)9-3-4-12-10(13-9)14-11/h3-4,8H,2,5-7,11H2,1H3,(H,12,13,14)
InChIKeyFFFMXSPKFZQYHS-UHFFFAOYSA-N
XLogP0.38
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.38
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 [4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine (CID 80918713) is [4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine is CC1CN(c2ccnc(NN)n2)CCCO1.
What is the InChIKey of [4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is FFFMXSPKFZQYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-8-7-15(5-2-6-16-8)9-3-4-12-10(13-9)14-11/h3-4,8H,2,5-7,11H2,1H3,(H,12,13,14).
What are the key properties of [4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine?
[4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 223.28 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80918713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).