5-(1-prop-2-ynoxyethyl)pyrimidine

C9H10N2O — CID 14434922

IUPAC5-(1-prop-2-ynoxyethyl)pyrimidine
SMILESC#CCOC(C)c1cncnc1
InChIInChI=1S/C9H10N2O/c1-3-4-12-8(2)9-5-10-7-11-6-9/h1,5-8H,4H2,2H3
InChIKeyPDRXITZKUDPZRB-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.19
Rot. Bonds3

About 5-(1-prop-2-ynoxyethyl)pyrimidine

5-(1-prop-2-ynoxyethyl)pyrimidine (PubChem CID 14434922) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-(1-prop-2-ynoxyethyl)pyrimidine.

Molecular Properties

Compound Name5-(1-prop-2-ynoxyethyl)pyrimidine
PubChem CID14434922
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-(1-prop-2-ynoxyethyl)pyrimidine
SMILESC#CCOC(C)c1cncnc1
InChIInChI=1S/C9H10N2O/c1-3-4-12-8(2)9-5-10-7-11-6-9/h1,5-8H,4H2,2H3
InChIKeyPDRXITZKUDPZRB-UHFFFAOYSA-N
XLogP1.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-prop-2-ynoxyethyl)pyrimidine?
The IUPAC name of 5-(1-prop-2-ynoxyethyl)pyrimidine (CID 14434922) is 5-(1-prop-2-ynoxyethyl)pyrimidine.
What is the SMILES notation for 5-(1-prop-2-ynoxyethyl)pyrimidine?
The canonical SMILES for 5-(1-prop-2-ynoxyethyl)pyrimidine is C#CCOC(C)c1cncnc1.
What is the InChIKey of 5-(1-prop-2-ynoxyethyl)pyrimidine?
The InChIKey is PDRXITZKUDPZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-3-4-12-8(2)9-5-10-7-11-6-9/h1,5-8H,4H2,2H3.
What are the key properties of 5-(1-prop-2-ynoxyethyl)pyrimidine?
5-(1-prop-2-ynoxyethyl)pyrimidine has a molecular weight of 162.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-prop-2-ynoxyethyl)pyrimidine is sourced from PubChem (CID 14434922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).