7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C21H17ClN4 — CID 50749551

IUPAC7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(-n2cc(-c3ccccc3)c3c(NC4CC4)ncnc32)cc1
InChIInChI=1S/C21H17ClN4/c22-15-6-10-17(11-7-15)26-12-18(14-4-2-1-3-5-14)19-20(25-16-8-9-16)23-13-24-21(19)26/h1-7,10-13,16H,8-9H2,(H,23,24,25)
InChIKeySAUAEJLEHCUMCM-UHFFFAOYSA-N
MW360.85 g/mol
LogP5.32
Rot. Bonds4

About 7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 50749551) has the molecular formula C21H17ClN4 and a molecular weight of 360.85 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID50749551
Molecular FormulaC21H17ClN4
Molecular Weight360.85 g/mol
Exact Mass360.11
IUPAC Name7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(-n2cc(-c3ccccc3)c3c(NC4CC4)ncnc32)cc1
InChIInChI=1S/C21H17ClN4/c22-15-6-10-17(11-7-15)26-12-18(14-4-2-1-3-5-14)19-20(25-16-8-9-16)23-13-24-21(19)26/h1-7,10-13,16H,8-9H2,(H,23,24,25)
InChIKeySAUAEJLEHCUMCM-UHFFFAOYSA-N
XLogP5.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.85
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 50749551) is 7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is Clc1ccc(-n2cc(-c3ccccc3)c3c(NC4CC4)ncnc32)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SAUAEJLEHCUMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4/c22-15-6-10-17(11-7-15)26-12-18(14-4-2-1-3-5-14)19-20(25-16-8-9-16)23-13-24-21(19)26/h1-7,10-13,16H,8-9H2,(H,23,24,25).
What are the key properties of 7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 360.85 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-N-cyclopropyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 50749551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).