5-(2-prop-2-ynoxypropan-2-yl)pyrimidine

C10H12N2O — CID 14434912

IUPAC5-(2-prop-2-ynoxypropan-2-yl)pyrimidine
SMILESC#CCOC(C)(C)c1cncnc1
InChIInChI=1S/C10H12N2O/c1-4-5-13-10(2,3)9-6-11-8-12-7-9/h1,6-8H,5H2,2-3H3
InChIKeyGSNPXGSNQVFIDU-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.36
Rot. Bonds3

About 5-(2-prop-2-ynoxypropan-2-yl)pyrimidine

5-(2-prop-2-ynoxypropan-2-yl)pyrimidine (PubChem CID 14434912) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-(2-prop-2-ynoxypropan-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(2-prop-2-ynoxypropan-2-yl)pyrimidine
PubChem CID14434912
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-(2-prop-2-ynoxypropan-2-yl)pyrimidine
SMILESC#CCOC(C)(C)c1cncnc1
InChIInChI=1S/C10H12N2O/c1-4-5-13-10(2,3)9-6-11-8-12-7-9/h1,6-8H,5H2,2-3H3
InChIKeyGSNPXGSNQVFIDU-UHFFFAOYSA-N
XLogP1.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-prop-2-ynoxypropan-2-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-prop-2-ynoxypropan-2-yl)pyrimidine?
The IUPAC name of 5-(2-prop-2-ynoxypropan-2-yl)pyrimidine (CID 14434912) is 5-(2-prop-2-ynoxypropan-2-yl)pyrimidine.
What is the SMILES notation for 5-(2-prop-2-ynoxypropan-2-yl)pyrimidine?
The canonical SMILES for 5-(2-prop-2-ynoxypropan-2-yl)pyrimidine is C#CCOC(C)(C)c1cncnc1.
What is the InChIKey of 5-(2-prop-2-ynoxypropan-2-yl)pyrimidine?
The InChIKey is GSNPXGSNQVFIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-4-5-13-10(2,3)9-6-11-8-12-7-9/h1,6-8H,5H2,2-3H3.
What are the key properties of 5-(2-prop-2-ynoxypropan-2-yl)pyrimidine?
5-(2-prop-2-ynoxypropan-2-yl)pyrimidine has a molecular weight of 176.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-prop-2-ynoxypropan-2-yl)pyrimidine is sourced from PubChem (CID 14434912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).