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

C8H13ClN4O — CID 80912202

IUPAC[5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine
SMILESCC(C)COc1nc(NN)ncc1Cl
InChIInChI=1S/C8H13ClN4O/c1-5(2)4-14-7-6(9)3-11-8(12-7)13-10/h3,5H,4,10H2,1-2H3,(H,11,12,13)
InChIKeyOXRVGCHVFTZJKK-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.45
Rot. Bonds4

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

[5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80912202) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is [5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine
PubChem CID80912202
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name[5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine
SMILESCC(C)COc1nc(NN)ncc1Cl
InChIInChI=1S/C8H13ClN4O/c1-5(2)4-14-7-6(9)3-11-8(12-7)13-10/h3,5H,4,10H2,1-2H3,(H,11,12,13)
InChIKeyOXRVGCHVFTZJKK-UHFFFAOYSA-N
XLogP1.45
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(5-chloro-4-propan-2-yloxypyrimidin-2-yl)hydrazine
CID 80913433
(5-chloro-4-methoxypyrimidin-2-yl)hydrazine
CID 80911079
[5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine
CID 80923947
[5-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 106451634
[5-chloro-4-(2-cyclobutylethoxy)pyrimidin-2-yl]hydrazine
CID 106207949
5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine
CID 80858510
[5-chloro-4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80921386
[6-ethyl-4-(2-methylpropoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336078
[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80918493
[5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine
CID 80913199
[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80914939
5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine
CID 80879542

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine (CID 80912202) is [5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine is CC(C)COc1nc(NN)ncc1Cl.
What is the InChIKey of [5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is OXRVGCHVFTZJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O/c1-5(2)4-14-7-6(9)3-11-8(12-7)13-10/h3,5H,4,10H2,1-2H3,(H,11,12,13).
What are the key properties of [5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine?
[5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 216.67 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80912202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).