4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine

C9H9ClN2O — CID 106794793

IUPAC4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine
SMILESC#CC(C)Oc1cc(Cl)nc(C)n1
InChIInChI=1S/C9H9ClN2O/c1-4-6(2)13-9-5-8(10)11-7(3)12-9/h1,5-6H,2-3H3
InChIKeyUGHCWADEMGEITG-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.84
Rot. Bonds2

About 4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine

4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine (PubChem CID 106794793) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine.

Molecular Properties

Compound Name4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine
PubChem CID106794793
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine
SMILESC#CC(C)Oc1cc(Cl)nc(C)n1
InChIInChI=1S/C9H9ClN2O/c1-4-6(2)13-9-5-8(10)11-7(3)12-9/h1,5-6H,2-3H3
InChIKeyUGHCWADEMGEITG-UHFFFAOYSA-N
XLogP1.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-but-3-yn-2-yloxy-6-chloropyrimidine
CID 106794758
4-but-3-yn-2-yloxy-6-chloro-2-cyclopropylpyrimidine
CID 106794800
4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine
CID 129367902
4-but-3-yn-2-yloxy-6-chloro-2-(ethoxymethyl)pyrimidine
CID 106794787
4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
CID 66277825
4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine
CID 62483949
6-but-3-yn-2-yloxy-4-N-methylpyrimidine-2,4-diamine
CID 106795434
4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine
CID 62481699
6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile
CID 130560169
2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 106794790
6-but-3-yn-2-yloxy-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 106795289
[6-but-3-yn-2-yloxy-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 106795721

Frequently Asked Questions

What is the IUPAC name of 4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine?
The IUPAC name of 4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine (CID 106794793) is 4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine.
What is the SMILES notation for 4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine?
The canonical SMILES for 4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine is C#CC(C)Oc1cc(Cl)nc(C)n1.
What is the InChIKey of 4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine?
The InChIKey is UGHCWADEMGEITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-4-6(2)13-9-5-8(10)11-7(3)12-9/h1,5-6H,2-3H3.
What are the key properties of 4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine?
4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine has a molecular weight of 196.64 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine is sourced from PubChem (CID 106794793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).