1-(6-methoxypyrimidin-4-yl)-3-(oxolan-2-yl)propan-2-ol

C12H18N2O3 — CID 113397528

IUPAC1-(6-methoxypyrimidin-4-yl)-3-(oxolan-2-yl)propan-2-ol
SMILESCOc1cc(CC(O)CC2CCCO2)ncn1
InChIInChI=1S/C12H18N2O3/c1-16-12-6-9(13-8-14-12)5-10(15)7-11-3-2-4-17-11/h6,8,10-11,15H,2-5,7H2,1H3
InChIKeyYOYIYQMVWXOBMT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.96
Rot. Bonds5

About 1-(6-methoxypyrimidin-4-yl)-3-(oxolan-2-yl)propan-2-ol

1-(6-methoxypyrimidin-4-yl)-3-(oxolan-2-yl)propan-2-ol (PubChem CID 113397528) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-3-(oxolan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-3-(oxolan-2-yl)propan-2-ol
PubChem CID113397528
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(6-methoxypyrimidin-4-yl)-3-(oxolan-2-yl)propan-2-ol
SMILESCOc1cc(CC(O)CC2CCCO2)ncn1
InChIInChI=1S/C12H18N2O3/c1-16-12-6-9(13-8-14-12)5-10(15)7-11-3-2-4-17-11/h6,8,10-11,15H,2-5,7H2,1H3
InChIKeyYOYIYQMVWXOBMT-UHFFFAOYSA-N
XLogP0.96
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-3-(oxolan-2-yl)propan-2-ol?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-3-(oxolan-2-yl)propan-2-ol (CID 113397528) is 1-(6-methoxypyrimidin-4-yl)-3-(oxolan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-3-(oxolan-2-yl)propan-2-ol?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-3-(oxolan-2-yl)propan-2-ol is COc1cc(CC(O)CC2CCCO2)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-3-(oxolan-2-yl)propan-2-ol?
The InChIKey is YOYIYQMVWXOBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-12-6-9(13-8-14-12)5-10(15)7-11-3-2-4-17-11/h6,8,10-11,15H,2-5,7H2,1H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-3-(oxolan-2-yl)propan-2-ol?
1-(6-methoxypyrimidin-4-yl)-3-(oxolan-2-yl)propan-2-ol has a molecular weight of 238.29 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-3-(oxolan-2-yl)propan-2-ol is sourced from PubChem (CID 113397528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).