1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol

C22H25N3O2 — CID 118443758

IUPAC1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
SMILESCOCc1ccc(-c2ccc(C(O)(c3cncnc3)C(C)(C)C)nc2)cc1
InChIInChI=1S/C22H25N3O2/c1-21(2,3)22(26,19-12-23-15-24-13-19)20-10-9-18(11-25-20)17-7-5-16(6-8-17)14-27-4/h5-13,15,26H,14H2,1-4H3
InChIKeyARBRUEKGBUYFHN-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.97
Rot. Bonds5

About 1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol

1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol (PubChem CID 118443758) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol.

Molecular Properties

Compound Name1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
PubChem CID118443758
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
SMILESCOCc1ccc(-c2ccc(C(O)(c3cncnc3)C(C)(C)C)nc2)cc1
InChIInChI=1S/C22H25N3O2/c1-21(2,3)22(26,19-12-23-15-24-13-19)20-10-9-18(11-25-20)17-7-5-16(6-8-17)14-27-4/h5-13,15,26H,14H2,1-4H3
InChIKeyARBRUEKGBUYFHN-UHFFFAOYSA-N
XLogP3.97
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol?
The IUPAC name of 1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol (CID 118443758) is 1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol.
What is the SMILES notation for 1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol?
The canonical SMILES for 1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol is COCc1ccc(-c2ccc(C(O)(c3cncnc3)C(C)(C)C)nc2)cc1.
What is the InChIKey of 1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol?
The InChIKey is ARBRUEKGBUYFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-21(2,3)22(26,19-12-23-15-24-13-19)20-10-9-18(11-25-20)17-7-5-16(6-8-17)14-27-4/h5-13,15,26H,14H2,1-4H3.
What are the key properties of 1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol?
1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol has a molecular weight of 363.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol is sourced from PubChem (CID 118443758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).