[5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine

C9H15ClN4O2 — CID 80923947

IUPAC[5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine
SMILESCCCOCCOc1nc(NN)ncc1Cl
InChIInChI=1S/C9H15ClN4O2/c1-2-3-15-4-5-16-8-7(10)6-12-9(13-8)14-11/h6H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyDOYCQOPDCQSSPW-UHFFFAOYSA-N
MW246.70 g/mol
LogP1.22
Rot. Bonds7

About [5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine

[5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80923947) has the molecular formula C9H15ClN4O2 and a molecular weight of 246.70 g/mol. Its IUPAC name is [5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine
PubChem CID80923947
Molecular FormulaC9H15ClN4O2
Molecular Weight246.70 g/mol
Exact Mass246.09
IUPAC Name[5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine
SMILESCCCOCCOc1nc(NN)ncc1Cl
InChIInChI=1S/C9H15ClN4O2/c1-2-3-15-4-5-16-8-7(10)6-12-9(13-8)14-11/h6H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyDOYCQOPDCQSSPW-UHFFFAOYSA-N
XLogP1.22
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine (CID 80923947) is [5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine is CCCOCCOc1nc(NN)ncc1Cl.
What is the InChIKey of [5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is DOYCQOPDCQSSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O2/c1-2-3-15-4-5-16-8-7(10)6-12-9(13-8)14-11/h6H,2-5,11H2,1H3,(H,12,13,14).
What are the key properties of [5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine?
[5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 246.70 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80923947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).