(2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine

C10H14N4O — CID 80968837

IUPAC(2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine
SMILESC#CCOc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C10H14N4O/c1-4-5-15-9-6-8(14-11)12-10(13-9)7(2)3/h1,6-7H,5,11H2,2-3H3,(H,12,13,14)
InChIKeyMCOKSNWBTVWENJ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.90
Rot. Bonds4

About (2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine

(2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine (PubChem CID 80968837) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is (2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine
PubChem CID80968837
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name(2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine
SMILESC#CCOc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C10H14N4O/c1-4-5-15-9-6-8(14-11)12-10(13-9)7(2)3/h1,6-7H,5,11H2,2-3H3,(H,12,13,14)
InChIKeyMCOKSNWBTVWENJ-UHFFFAOYSA-N
XLogP0.90
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.90
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine
CID 80968951
(6-butan-2-yloxy-2-propan-2-ylpyrimidin-4-yl)hydrazine
CID 80969257
N-[2-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
CID 115506035
[2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80979368
[6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980065
[6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80979166
[6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969533
[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 102723712
[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969261
(6-prop-2-ynoxypyrazin-2-yl)hydrazine
CID 80914520
dihydroxy-[(2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane
CID 161222283
6-hydrazinyl-N-methyl-2-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 81065194

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine?
The IUPAC name of (2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine (CID 80968837) is (2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine is C#CCOc1cc(NN)nc(C(C)C)n1.
What is the InChIKey of (2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine?
The InChIKey is MCOKSNWBTVWENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-4-5-15-9-6-8(14-11)12-10(13-9)7(2)3/h1,6-7H,5,11H2,2-3H3,(H,12,13,14).
What are the key properties of (2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine?
(2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine has a molecular weight of 206.25 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80968837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).