2-(oxetan-3-yl)-4-propan-2-ylpyrimidine

C10H14N2O — CID 167163743

IUPAC2-(oxetan-3-yl)-4-propan-2-ylpyrimidine
SMILESCC(C)c1ccnc(C2COC2)n1
InChIInChI=1S/C10H14N2O/c1-7(2)9-3-4-11-10(12-9)8-5-13-6-8/h3-4,7-8H,5-6H2,1-2H3
InChIKeyZVLDFLXTFNMKKV-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.71
Rot. Bonds2

About 2-(oxetan-3-yl)-4-propan-2-ylpyrimidine

2-(oxetan-3-yl)-4-propan-2-ylpyrimidine (PubChem CID 167163743) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(oxetan-3-yl)-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(oxetan-3-yl)-4-propan-2-ylpyrimidine
PubChem CID167163743
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-(oxetan-3-yl)-4-propan-2-ylpyrimidine
SMILESCC(C)c1ccnc(C2COC2)n1
InChIInChI=1S/C10H14N2O/c1-7(2)9-3-4-11-10(12-9)8-5-13-6-8/h3-4,7-8H,5-6H2,1-2H3
InChIKeyZVLDFLXTFNMKKV-UHFFFAOYSA-N
XLogP1.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yl)-4-propan-2-ylpyrimidine?
The IUPAC name of 2-(oxetan-3-yl)-4-propan-2-ylpyrimidine (CID 167163743) is 2-(oxetan-3-yl)-4-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(oxetan-3-yl)-4-propan-2-ylpyrimidine?
The canonical SMILES for 2-(oxetan-3-yl)-4-propan-2-ylpyrimidine is CC(C)c1ccnc(C2COC2)n1.
What is the InChIKey of 2-(oxetan-3-yl)-4-propan-2-ylpyrimidine?
The InChIKey is ZVLDFLXTFNMKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(2)9-3-4-11-10(12-9)8-5-13-6-8/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2-(oxetan-3-yl)-4-propan-2-ylpyrimidine?
2-(oxetan-3-yl)-4-propan-2-ylpyrimidine has a molecular weight of 178.24 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yl)-4-propan-2-ylpyrimidine is sourced from PubChem (CID 167163743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).