[5-fluoro-4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]hydrazine

C9H13FN4O2 — CID 80930643

IUPAC[5-fluoro-4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(OCC2CCOC2)n1
InChIInChI=1S/C9H13FN4O2/c10-7-3-12-9(14-11)13-8(7)16-5-6-1-2-15-4-6/h3,6H,1-2,4-5,11H2,(H,12,13,14)
InChIKeyPAOUJQDEFHNMSH-UHFFFAOYSA-N
MW228.23 g/mol
LogP0.32
Rot. Bonds4

About [5-fluoro-4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]hydrazine

[5-fluoro-4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80930643) has the molecular formula C9H13FN4O2 and a molecular weight of 228.23 g/mol. Its IUPAC name is [5-fluoro-4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]hydrazine
PubChem CID80930643
Molecular FormulaC9H13FN4O2
Molecular Weight228.23 g/mol
Exact Mass228.10
IUPAC Name[5-fluoro-4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(OCC2CCOC2)n1
InChIInChI=1S/C9H13FN4O2/c10-7-3-12-9(14-11)13-8(7)16-5-6-1-2-15-4-6/h3,6H,1-2,4-5,11H2,(H,12,13,14)
InChIKeyPAOUJQDEFHNMSH-UHFFFAOYSA-N
XLogP0.32
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 50.32
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

4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80879473
(5-fluoro-4-propoxypyrimidin-2-yl)hydrazine
CID 80911557
4-(cyclopentylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80877804
[5-methyl-6-(oxolan-3-ylmethoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001634
4-(oxolan-3-ylmethoxy)quinazolin-2-amine
CID 80873939
5-methyl-2-(oxolan-3-ylmethoxy)pyridin-3-amine
CID 66280449
5-methyl-6-(oxolan-3-ylmethoxy)pyridin-3-amine
CID 62475412
[5-chloro-6-(oxolan-3-ylmethoxy)-3-pyridinyl]methanamine
CID 62322087
[4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80911950
3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
[3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 79886568
[5-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-2-yl]hydrazine
CID 104568409

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]hydrazine (CID 80930643) is [5-fluoro-4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]hydrazine is NNc1ncc(F)c(OCC2CCOC2)n1.
What is the InChIKey of [5-fluoro-4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is PAOUJQDEFHNMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O2/c10-7-3-12-9(14-11)13-8(7)16-5-6-1-2-15-4-6/h3,6H,1-2,4-5,11H2,(H,12,13,14).
What are the key properties of [5-fluoro-4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]hydrazine?
[5-fluoro-4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 228.23 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80930643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).