1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyrimidin-4-ylpropan-1-ol

C20H22N2O3 — CID 57330959

IUPAC1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyrimidin-4-ylpropan-1-ol
SMILESCOc1cc2ccc(C(O)(c3ccncn3)C(C)C)cc2cc1OC
InChIInChI=1S/C20H22N2O3/c1-13(2)20(23,19-7-8-21-12-22-19)16-6-5-14-10-17(24-3)18(25-4)11-15(14)9-16/h5-13,23H,1-4H3
InChIKeyRBYAUFGMTNJMOR-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.54
Rot. Bonds5

About 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyrimidin-4-ylpropan-1-ol

1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyrimidin-4-ylpropan-1-ol (PubChem CID 57330959) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyrimidin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyrimidin-4-ylpropan-1-ol
PubChem CID57330959
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyrimidin-4-ylpropan-1-ol
SMILESCOc1cc2ccc(C(O)(c3ccncn3)C(C)C)cc2cc1OC
InChIInChI=1S/C20H22N2O3/c1-13(2)20(23,19-7-8-21-12-22-19)16-6-5-14-10-17(24-3)18(25-4)11-15(14)9-16/h5-13,23H,1-4H3
InChIKeyRBYAUFGMTNJMOR-UHFFFAOYSA-N
XLogP3.54
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyrimidin-4-ylpropan-1-ol?
The IUPAC name of 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyrimidin-4-ylpropan-1-ol (CID 57330959) is 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyrimidin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyrimidin-4-ylpropan-1-ol?
The canonical SMILES for 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyrimidin-4-ylpropan-1-ol is COc1cc2ccc(C(O)(c3ccncn3)C(C)C)cc2cc1OC.
What is the InChIKey of 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyrimidin-4-ylpropan-1-ol?
The InChIKey is RBYAUFGMTNJMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13(2)20(23,19-7-8-21-12-22-19)16-6-5-14-10-17(24-3)18(25-4)11-15(14)9-16/h5-13,23H,1-4H3.
What are the key properties of 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyrimidin-4-ylpropan-1-ol?
1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyrimidin-4-ylpropan-1-ol has a molecular weight of 338.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyrimidin-4-ylpropan-1-ol is sourced from PubChem (CID 57330959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).