[(5-propan-2-yloxy-3-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine

C13H17N5O — CID 105221122

IUPAC[(5-propan-2-yloxy-3-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine
SMILESCC(C)Oc1cncc(C(NN)c2ccncn2)c1
InChIInChI=1S/C13H17N5O/c1-9(2)19-11-5-10(6-16-7-11)13(18-14)12-3-4-15-8-17-12/h3-9,13,18H,14H2,1-2H3
InChIKeyXXLSMNZHSCKBNI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.21
Rot. Bonds5

About [(5-propan-2-yloxy-3-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine

[(5-propan-2-yloxy-3-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine (PubChem CID 105221122) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is [(5-propan-2-yloxy-3-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(5-propan-2-yloxy-3-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine
PubChem CID105221122
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name[(5-propan-2-yloxy-3-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine
SMILESCC(C)Oc1cncc(C(NN)c2ccncn2)c1
InChIInChI=1S/C13H17N5O/c1-9(2)19-11-5-10(6-16-7-11)13(18-14)12-3-4-15-8-17-12/h3-9,13,18H,14H2,1-2H3
InChIKeyXXLSMNZHSCKBNI-UHFFFAOYSA-N
XLogP1.21
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.21
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

[(2-methyl-4-pyridinyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 106756674
[(3-bromo-2-pyridinyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105268181
[pyrimidin-4-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105220929
[(3,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330468
[(4-ethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105197467
[(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330517
[(2,3-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330458
[(3-bromothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330543
(4-propan-2-yloxyphenyl)-pyrimidin-4-ylmethanamine
CID 63990391
[(5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330550
[2,2-dimethoxy-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]hydrazine
CID 105246133
[(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105251286

Frequently Asked Questions

What is the IUPAC name of [(5-propan-2-yloxy-3-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine?
The IUPAC name of [(5-propan-2-yloxy-3-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine (CID 105221122) is [(5-propan-2-yloxy-3-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine.
What is the SMILES notation for [(5-propan-2-yloxy-3-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine?
The canonical SMILES for [(5-propan-2-yloxy-3-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine is CC(C)Oc1cncc(C(NN)c2ccncn2)c1.
What is the InChIKey of [(5-propan-2-yloxy-3-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine?
The InChIKey is XXLSMNZHSCKBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9(2)19-11-5-10(6-16-7-11)13(18-14)12-3-4-15-8-17-12/h3-9,13,18H,14H2,1-2H3.
What are the key properties of [(5-propan-2-yloxy-3-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine?
[(5-propan-2-yloxy-3-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine has a molecular weight of 259.31 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-propan-2-yloxy-3-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine is sourced from PubChem (CID 105221122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).