1-(9H-carbazol-4-yloxy)-3-(N-(4,6-dimethylpyrimidin-2-yl)anilino)propan-2-ol

C27H26N4O2 — CID 69126271

IUPAC1-(9H-carbazol-4-yloxy)-3-(N-(4,6-dimethylpyrimidin-2-yl)anilino)propan-2-ol
SMILESCc1cc(C)nc(N(CC(O)COc2cccc3[nH]c4ccccc4c23)c2ccccc2)n1
InChIInChI=1S/C27H26N4O2/c1-18-15-19(2)29-27(28-18)31(20-9-4-3-5-10-20)16-21(32)17-33-25-14-8-13-24-26(25)22-11-6-7-12-23(22)30-24/h3-15,21,30,32H,16-17H2,1-2H3
InChIKeyUOFVJVQHGXVSFU-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.31
Rot. Bonds7

About 1-(9H-carbazol-4-yloxy)-3-(N-(4,6-dimethylpyrimidin-2-yl)anilino)propan-2-ol

1-(9H-carbazol-4-yloxy)-3-(N-(4,6-dimethylpyrimidin-2-yl)anilino)propan-2-ol (PubChem CID 69126271) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-(9H-carbazol-4-yloxy)-3-(N-(4,6-dimethylpyrimidin-2-yl)anilino)propan-2-ol.

Molecular Properties

Compound Name1-(9H-carbazol-4-yloxy)-3-(N-(4,6-dimethylpyrimidin-2-yl)anilino)propan-2-ol
PubChem CID69126271
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name1-(9H-carbazol-4-yloxy)-3-(N-(4,6-dimethylpyrimidin-2-yl)anilino)propan-2-ol
SMILESCc1cc(C)nc(N(CC(O)COc2cccc3[nH]c4ccccc4c23)c2ccccc2)n1
InChIInChI=1S/C27H26N4O2/c1-18-15-19(2)29-27(28-18)31(20-9-4-3-5-10-20)16-21(32)17-33-25-14-8-13-24-26(25)22-11-6-7-12-23(22)30-24/h3-15,21,30,32H,16-17H2,1-2H3
InChIKeyUOFVJVQHGXVSFU-UHFFFAOYSA-N
XLogP5.31
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-4-yloxy)-3-(N-(4,6-dimethylpyrimidin-2-yl)anilino)propan-2-ol?
The IUPAC name of 1-(9H-carbazol-4-yloxy)-3-(N-(4,6-dimethylpyrimidin-2-yl)anilino)propan-2-ol (CID 69126271) is 1-(9H-carbazol-4-yloxy)-3-(N-(4,6-dimethylpyrimidin-2-yl)anilino)propan-2-ol.
What is the SMILES notation for 1-(9H-carbazol-4-yloxy)-3-(N-(4,6-dimethylpyrimidin-2-yl)anilino)propan-2-ol?
The canonical SMILES for 1-(9H-carbazol-4-yloxy)-3-(N-(4,6-dimethylpyrimidin-2-yl)anilino)propan-2-ol is Cc1cc(C)nc(N(CC(O)COc2cccc3[nH]c4ccccc4c23)c2ccccc2)n1.
What is the InChIKey of 1-(9H-carbazol-4-yloxy)-3-(N-(4,6-dimethylpyrimidin-2-yl)anilino)propan-2-ol?
The InChIKey is UOFVJVQHGXVSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-18-15-19(2)29-27(28-18)31(20-9-4-3-5-10-20)16-21(32)17-33-25-14-8-13-24-26(25)22-11-6-7-12-23(22)30-24/h3-15,21,30,32H,16-17H2,1-2H3.
What are the key properties of 1-(9H-carbazol-4-yloxy)-3-(N-(4,6-dimethylpyrimidin-2-yl)anilino)propan-2-ol?
1-(9H-carbazol-4-yloxy)-3-(N-(4,6-dimethylpyrimidin-2-yl)anilino)propan-2-ol has a molecular weight of 438.53 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-4-yloxy)-3-(N-(4,6-dimethylpyrimidin-2-yl)anilino)propan-2-ol is sourced from PubChem (CID 69126271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).