2-(3-methylbutoxy)-4-propan-2-yloxypyrimidine

C12H20N2O2 — CID 58044551

IUPAC2-(3-methylbutoxy)-4-propan-2-yloxypyrimidine
SMILESCC(C)CCOc1nccc(OC(C)C)n1
InChIInChI=1S/C12H20N2O2/c1-9(2)6-8-15-12-13-7-5-11(14-12)16-10(3)4/h5,7,9-10H,6,8H2,1-4H3
InChIKeyRYPNHIQWXOQXBY-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.69
Rot. Bonds6

About 2-(3-methylbutoxy)-4-propan-2-yloxypyrimidine

2-(3-methylbutoxy)-4-propan-2-yloxypyrimidine (PubChem CID 58044551) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-4-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-4-propan-2-yloxypyrimidine
PubChem CID58044551
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(3-methylbutoxy)-4-propan-2-yloxypyrimidine
SMILESCC(C)CCOc1nccc(OC(C)C)n1
InChIInChI=1S/C12H20N2O2/c1-9(2)6-8-15-12-13-7-5-11(14-12)16-10(3)4/h5,7,9-10H,6,8H2,1-4H3
InChIKeyRYPNHIQWXOQXBY-UHFFFAOYSA-N
XLogP2.69
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-4-propan-2-yloxypyrimidine?
The IUPAC name of 2-(3-methylbutoxy)-4-propan-2-yloxypyrimidine (CID 58044551) is 2-(3-methylbutoxy)-4-propan-2-yloxypyrimidine.
What is the SMILES notation for 2-(3-methylbutoxy)-4-propan-2-yloxypyrimidine?
The canonical SMILES for 2-(3-methylbutoxy)-4-propan-2-yloxypyrimidine is CC(C)CCOc1nccc(OC(C)C)n1.
What is the InChIKey of 2-(3-methylbutoxy)-4-propan-2-yloxypyrimidine?
The InChIKey is RYPNHIQWXOQXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)6-8-15-12-13-7-5-11(14-12)16-10(3)4/h5,7,9-10H,6,8H2,1-4H3.
What are the key properties of 2-(3-methylbutoxy)-4-propan-2-yloxypyrimidine?
2-(3-methylbutoxy)-4-propan-2-yloxypyrimidine has a molecular weight of 224.30 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-4-propan-2-yloxypyrimidine is sourced from PubChem (CID 58044551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).