3-(2,4-dimethoxypyrimidin-5-yl)propan-1-ol

C9H14N2O3 — CID 124706387

IUPAC3-(2,4-dimethoxypyrimidin-5-yl)propan-1-ol
SMILESCOc1ncc(CCCO)c(OC)n1
InChIInChI=1S/C9H14N2O3/c1-13-8-7(4-3-5-12)6-10-9(11-8)14-2/h6,12H,3-5H2,1-2H3
InChIKeyNGCMGFYSHCMECM-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.42
Rot. Bonds5

About 3-(2,4-dimethoxypyrimidin-5-yl)propan-1-ol

3-(2,4-dimethoxypyrimidin-5-yl)propan-1-ol (PubChem CID 124706387) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(2,4-dimethoxypyrimidin-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,4-dimethoxypyrimidin-5-yl)propan-1-ol
PubChem CID124706387
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(2,4-dimethoxypyrimidin-5-yl)propan-1-ol
SMILESCOc1ncc(CCCO)c(OC)n1
InChIInChI=1S/C9H14N2O3/c1-13-8-7(4-3-5-12)6-10-9(11-8)14-2/h6,12H,3-5H2,1-2H3
InChIKeyNGCMGFYSHCMECM-UHFFFAOYSA-N
XLogP0.42
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxypyrimidin-5-yl)propan-1-ol?
The IUPAC name of 3-(2,4-dimethoxypyrimidin-5-yl)propan-1-ol (CID 124706387) is 3-(2,4-dimethoxypyrimidin-5-yl)propan-1-ol.
What is the SMILES notation for 3-(2,4-dimethoxypyrimidin-5-yl)propan-1-ol?
The canonical SMILES for 3-(2,4-dimethoxypyrimidin-5-yl)propan-1-ol is COc1ncc(CCCO)c(OC)n1.
What is the InChIKey of 3-(2,4-dimethoxypyrimidin-5-yl)propan-1-ol?
The InChIKey is NGCMGFYSHCMECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-13-8-7(4-3-5-12)6-10-9(11-8)14-2/h6,12H,3-5H2,1-2H3.
What are the key properties of 3-(2,4-dimethoxypyrimidin-5-yl)propan-1-ol?
3-(2,4-dimethoxypyrimidin-5-yl)propan-1-ol has a molecular weight of 198.22 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxypyrimidin-5-yl)propan-1-ol is sourced from PubChem (CID 124706387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).