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

C11H11ClN2O — CID 106794800

IUPAC4-but-3-yn-2-yloxy-6-chloro-2-cyclopropylpyrimidine
SMILESC#CC(C)Oc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C11H11ClN2O/c1-3-7(2)15-10-6-9(12)13-11(14-10)8-4-5-8/h1,6-8H,4-5H2,2H3
InChIKeyITOVMJSFWKFMQR-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.41
Rot. Bonds3

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

4-but-3-yn-2-yloxy-6-chloro-2-cyclopropylpyrimidine (PubChem CID 106794800) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-but-3-yn-2-yloxy-6-chloro-2-cyclopropylpyrimidine.

Molecular Properties

Compound Name4-but-3-yn-2-yloxy-6-chloro-2-cyclopropylpyrimidine
PubChem CID106794800
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name4-but-3-yn-2-yloxy-6-chloro-2-cyclopropylpyrimidine
SMILESC#CC(C)Oc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C11H11ClN2O/c1-3-7(2)15-10-6-9(12)13-11(14-10)8-4-5-8/h1,6-8H,4-5H2,2H3
InChIKeyITOVMJSFWKFMQR-UHFFFAOYSA-N
XLogP2.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.41
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

4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine
CID 106794793
2-tert-butyl-4-but-3-yn-2-yloxy-6-chloropyrimidine
CID 106794758
4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine
CID 80948365
4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine
CID 80948330
4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine
CID 80951552
4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine
CID 80944786
3-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-2-ol
CID 103880271
4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80952311
4-chloro-2-cyclopropyl-6-(4-methylsulfonylphenoxy)pyrimidine
CID 80944930
4-chloro-2-cyclopropyl-6-(3,3,3-trifluoropropoxy)pyrimidine
CID 82954876
4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine
CID 80948580
2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline
CID 116645194

Frequently Asked Questions

What is the IUPAC name of 4-but-3-yn-2-yloxy-6-chloro-2-cyclopropylpyrimidine?
The IUPAC name of 4-but-3-yn-2-yloxy-6-chloro-2-cyclopropylpyrimidine (CID 106794800) is 4-but-3-yn-2-yloxy-6-chloro-2-cyclopropylpyrimidine.
What is the SMILES notation for 4-but-3-yn-2-yloxy-6-chloro-2-cyclopropylpyrimidine?
The canonical SMILES for 4-but-3-yn-2-yloxy-6-chloro-2-cyclopropylpyrimidine is C#CC(C)Oc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 4-but-3-yn-2-yloxy-6-chloro-2-cyclopropylpyrimidine?
The InChIKey is ITOVMJSFWKFMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-3-7(2)15-10-6-9(12)13-11(14-10)8-4-5-8/h1,6-8H,4-5H2,2H3.
What are the key properties of 4-but-3-yn-2-yloxy-6-chloro-2-cyclopropylpyrimidine?
4-but-3-yn-2-yloxy-6-chloro-2-cyclopropylpyrimidine has a molecular weight of 222.68 g/mol, XLogP of 2.41, 3 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-cyclopropylpyrimidine is sourced from PubChem (CID 106794800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).