[6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine

C12H22N4O — CID 80947494

IUPAC[6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)cc(OCCC(C)C)n1
InChIInChI=1S/C12H22N4O/c1-4-5-10-14-11(16-13)8-12(15-10)17-7-6-9(2)3/h8-9H,4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyRKIXEBQIJJJBQZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.14
Rot. Bonds7

About [6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine

[6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine (PubChem CID 80947494) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine
PubChem CID80947494
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)cc(OCCC(C)C)n1
InChIInChI=1S/C12H22N4O/c1-4-5-10-14-11(16-13)8-12(15-10)17-7-6-9(2)3/h8-9H,4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyRKIXEBQIJJJBQZ-UHFFFAOYSA-N
XLogP2.14
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.14
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

(6-ethoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80947198
2-(6-hydrazinyl-2-propylpyrimidin-4-yl)oxy-N,N-dimethylethanamine
CID 80947210
[6-(2-cyclopropylethoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 106207866
[2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80947584
[6-[2-(3-methoxypropoxy)ethoxy]-2-propylpyrimidin-4-yl]hydrazine
CID 103176595
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979
[6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721220
N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine
CID 82454405
[6-(2-methylbutan-2-yloxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80946586
6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine
CID 80946800
N,N-diethyl-2-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxyethanamine
CID 80940196
(6-phenoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80946591

Frequently Asked Questions

What is the IUPAC name of [6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine (CID 80947494) is [6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine is CCCc1nc(NN)cc(OCCC(C)C)n1.
What is the InChIKey of [6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine?
The InChIKey is RKIXEBQIJJJBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-10-14-11(16-13)8-12(15-10)17-7-6-9(2)3/h8-9H,4-7,13H2,1-3H3,(H,14,15,16).
What are the key properties of [6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine?
[6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine has a molecular weight of 238.33 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80947494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).