4-but-2-ynoxy-6-(1-cyclopropylethoxy)pyrimidine

C13H16N2O2 — CID 11514164

IUPAC4-but-2-ynoxy-6-(1-cyclopropylethoxy)pyrimidine
SMILESCC#CCOc1cc(OC(C)C2CC2)ncn1
InChIInChI=1S/C13H16N2O2/c1-3-4-7-16-12-8-13(15-9-14-12)17-10(2)11-5-6-11/h8-11H,5-7H2,1-2H3
InChIKeyMGTBPLGXUIWIKE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.06
Rot. Bonds5

About 4-but-2-ynoxy-6-(1-cyclopropylethoxy)pyrimidine

4-but-2-ynoxy-6-(1-cyclopropylethoxy)pyrimidine (PubChem CID 11514164) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-but-2-ynoxy-6-(1-cyclopropylethoxy)pyrimidine.

Molecular Properties

Compound Name4-but-2-ynoxy-6-(1-cyclopropylethoxy)pyrimidine
PubChem CID11514164
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-but-2-ynoxy-6-(1-cyclopropylethoxy)pyrimidine
SMILESCC#CCOc1cc(OC(C)C2CC2)ncn1
InChIInChI=1S/C13H16N2O2/c1-3-4-7-16-12-8-13(15-9-14-12)17-10(2)11-5-6-11/h8-11H,5-7H2,1-2H3
InChIKeyMGTBPLGXUIWIKE-UHFFFAOYSA-N
XLogP2.06
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-but-2-ynoxy-6-(4-methylpiperidin-1-yl)pyrimidine
CID 58701797
4-but-2-ynoxy-6-phenylpyrimidine
CID 22599792
2-(6-but-2-ynoxypyrimidin-4-yl)-2-phenylethanol
CID 91243559
N-benzyl-6-but-2-ynoxypyrimidin-4-amine
CID 22599789
4-(cyclopentylmethyl)-6-pent-3-yn-2-yloxypyrimidine
CID 86001328
(6-but-2-ynoxypyrimidin-4-yl)-phenylmethanone;(E)-1-(6-but-2-ynoxypyrimidin-4-yl)-1-phenyl-N-propan-2-yloxymethanimine
CID 172942737
4-but-2-ynoxy-5,6-dichloropyrimidine
CID 22599751
N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66330794
1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine
CID 66332838
N-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine
CID 66332028
N-[[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 66333648
1-(6-but-2-ynoxypyrimidin-4-yl)-N-ethoxy-1-phenylmethanimine
CID 59978349

Frequently Asked Questions

What is the IUPAC name of 4-but-2-ynoxy-6-(1-cyclopropylethoxy)pyrimidine?
The IUPAC name of 4-but-2-ynoxy-6-(1-cyclopropylethoxy)pyrimidine (CID 11514164) is 4-but-2-ynoxy-6-(1-cyclopropylethoxy)pyrimidine.
What is the SMILES notation for 4-but-2-ynoxy-6-(1-cyclopropylethoxy)pyrimidine?
The canonical SMILES for 4-but-2-ynoxy-6-(1-cyclopropylethoxy)pyrimidine is CC#CCOc1cc(OC(C)C2CC2)ncn1.
What is the InChIKey of 4-but-2-ynoxy-6-(1-cyclopropylethoxy)pyrimidine?
The InChIKey is MGTBPLGXUIWIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-4-7-16-12-8-13(15-9-14-12)17-10(2)11-5-6-11/h8-11H,5-7H2,1-2H3.
What are the key properties of 4-but-2-ynoxy-6-(1-cyclopropylethoxy)pyrimidine?
4-but-2-ynoxy-6-(1-cyclopropylethoxy)pyrimidine has a molecular weight of 232.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-ynoxy-6-(1-cyclopropylethoxy)pyrimidine is sourced from PubChem (CID 11514164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).