1-(6-methyl-2-phenylpyrimidin-4-yl)oxy-3-morpholin-4-ylpropan-2-ol

C18H23N3O3 — CID 118722989

IUPAC1-(6-methyl-2-phenylpyrimidin-4-yl)oxy-3-morpholin-4-ylpropan-2-ol
SMILESCc1cc(OCC(O)CN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H23N3O3/c1-14-11-17(20-18(19-14)15-5-3-2-4-6-15)24-13-16(22)12-21-7-9-23-10-8-21/h2-6,11,16,22H,7-10,12-13H2,1H3
InChIKeyXRTBNZJWLDSBNG-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.52
Rot. Bonds6

About 1-(6-methyl-2-phenylpyrimidin-4-yl)oxy-3-morpholin-4-ylpropan-2-ol

1-(6-methyl-2-phenylpyrimidin-4-yl)oxy-3-morpholin-4-ylpropan-2-ol (PubChem CID 118722989) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(6-methyl-2-phenylpyrimidin-4-yl)oxy-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(6-methyl-2-phenylpyrimidin-4-yl)oxy-3-morpholin-4-ylpropan-2-ol
PubChem CID118722989
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-(6-methyl-2-phenylpyrimidin-4-yl)oxy-3-morpholin-4-ylpropan-2-ol
SMILESCc1cc(OCC(O)CN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H23N3O3/c1-14-11-17(20-18(19-14)15-5-3-2-4-6-15)24-13-16(22)12-21-7-9-23-10-8-21/h2-6,11,16,22H,7-10,12-13H2,1H3
InChIKeyXRTBNZJWLDSBNG-UHFFFAOYSA-N
XLogP1.52
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-phenylpyrimidin-4-yl)oxy-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(6-methyl-2-phenylpyrimidin-4-yl)oxy-3-morpholin-4-ylpropan-2-ol (CID 118722989) is 1-(6-methyl-2-phenylpyrimidin-4-yl)oxy-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(6-methyl-2-phenylpyrimidin-4-yl)oxy-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(6-methyl-2-phenylpyrimidin-4-yl)oxy-3-morpholin-4-ylpropan-2-ol is Cc1cc(OCC(O)CN2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 1-(6-methyl-2-phenylpyrimidin-4-yl)oxy-3-morpholin-4-ylpropan-2-ol?
The InChIKey is XRTBNZJWLDSBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14-11-17(20-18(19-14)15-5-3-2-4-6-15)24-13-16(22)12-21-7-9-23-10-8-21/h2-6,11,16,22H,7-10,12-13H2,1H3.
What are the key properties of 1-(6-methyl-2-phenylpyrimidin-4-yl)oxy-3-morpholin-4-ylpropan-2-ol?
1-(6-methyl-2-phenylpyrimidin-4-yl)oxy-3-morpholin-4-ylpropan-2-ol has a molecular weight of 329.40 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-phenylpyrimidin-4-yl)oxy-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 118722989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).