1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol

C21H19ClN4O — CID 4048400

IUPAC1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
SMILESCC(O)CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN4O/c1-14(27)11-23-20-19-18(15-5-3-2-4-6-15)12-26(21(19)25-13-24-20)17-9-7-16(22)8-10-17/h2-10,12-14,27H,11H2,1H3,(H,23,24,25)
InChIKeyIZPSLLVYTVDJFL-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.53
Rot. Bonds5

About 1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol

1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 4048400) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is 1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
PubChem CID4048400
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
SMILESCC(O)CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN4O/c1-14(27)11-23-20-19-18(15-5-3-2-4-6-15)12-26(21(19)25-13-24-20)17-9-7-16(22)8-10-17/h2-10,12-14,27H,11H2,1H3,(H,23,24,25)
InChIKeyIZPSLLVYTVDJFL-UHFFFAOYSA-N
XLogP4.53
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol (CID 4048400) is 1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol is CC(O)CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1.
What is the InChIKey of 1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is IZPSLLVYTVDJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-14(27)11-23-20-19-18(15-5-3-2-4-6-15)12-26(21(19)25-13-24-20)17-9-7-16(22)8-10-17/h2-10,12-14,27H,11H2,1H3,(H,23,24,25).
What are the key properties of 1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol?
1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 378.86 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 4048400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).