2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol

C12H20N2O2 — CID 168998496

IUPAC2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol
SMILESCC(C)CCOc1cnc(C(C)(C)O)nc1
InChIInChI=1S/C12H20N2O2/c1-9(2)5-6-16-10-7-13-11(14-8-10)12(3,4)15/h7-9,15H,5-6H2,1-4H3
InChIKeyGDRBGJXULYGTJP-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.13
Rot. Bonds5

About 2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol

2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol (PubChem CID 168998496) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol
PubChem CID168998496
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol
SMILESCC(C)CCOc1cnc(C(C)(C)O)nc1
InChIInChI=1S/C12H20N2O2/c1-9(2)5-6-16-10-7-13-11(14-8-10)12(3,4)15/h7-9,15H,5-6H2,1-4H3
InChIKeyGDRBGJXULYGTJP-UHFFFAOYSA-N
XLogP2.13
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol (CID 168998496) is 2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol is CC(C)CCOc1cnc(C(C)(C)O)nc1.
What is the InChIKey of 2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol?
The InChIKey is GDRBGJXULYGTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)5-6-16-10-7-13-11(14-8-10)12(3,4)15/h7-9,15H,5-6H2,1-4H3.
What are the key properties of 2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol?
2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 168998496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).