(6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine

C11H16N4O — CID 106795704

IUPAC(6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine
SMILESC#CC(C)Oc1nc(CC)nc(NN)c1C
InChIInChI=1S/C11H16N4O/c1-5-7(3)16-11-8(4)10(15-12)13-9(6-2)14-11/h1,7H,6,12H2,2-4H3,(H,13,14,15)
InChIKeyUOPBGTJTRIIKFL-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.03
Rot. Bonds4

About (6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine

(6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine (PubChem CID 106795704) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine
PubChem CID106795704
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine
SMILESC#CC(C)Oc1nc(CC)nc(NN)c1C
InChIInChI=1S/C11H16N4O/c1-5-7(3)16-11-8(4)10(15-12)13-9(6-2)14-11/h1,7H,6,12H2,2-4H3,(H,13,14,15)
InChIKeyUOPBGTJTRIIKFL-UHFFFAOYSA-N
XLogP1.03
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.03
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

6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 106795374
2-ethyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988466
6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80987958
(2-ethyl-6-hexoxy-5-methylpyrimidin-4-yl)hydrazine
CID 81000285
4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine
CID 106794814
[2-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine
CID 81000943
2-ethyl-5-methyl-6-propan-2-yloxy-N-propylpyrimidin-4-amine
CID 80989070
N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyethanamine
CID 81001085
[2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000967
4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile
CID 81000728
[6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001306
[2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine
CID 103408611

Frequently Asked Questions

What is the IUPAC name of (6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine?
The IUPAC name of (6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine (CID 106795704) is (6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine is C#CC(C)Oc1nc(CC)nc(NN)c1C.
What is the InChIKey of (6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine?
The InChIKey is UOPBGTJTRIIKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-5-7(3)16-11-8(4)10(15-12)13-9(6-2)14-11/h1,7H,6,12H2,2-4H3,(H,13,14,15).
What are the key properties of (6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine?
(6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine has a molecular weight of 220.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 106795704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).