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

C20H17ClN4 — CID 50749561

IUPAC7-(2-chlorophenyl)-N,N-dimethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1Cl
InChIInChI=1S/C20H17ClN4/c1-24(2)19-18-15(14-8-4-3-5-9-14)12-25(20(18)23-13-22-19)17-11-7-6-10-16(17)21/h3-13H,1-2H3
InChIKeyLNXGZKAAYGZNDL-UHFFFAOYSA-N
MW348.84 g/mol
LogP4.81
Rot. Bonds3

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

7-(2-chlorophenyl)-N,N-dimethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 50749561) has the molecular formula C20H17ClN4 and a molecular weight of 348.84 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-N,N-dimethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2-chlorophenyl)-N,N-dimethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID50749561
Molecular FormulaC20H17ClN4
Molecular Weight348.84 g/mol
Exact Mass348.11
IUPAC Name7-(2-chlorophenyl)-N,N-dimethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1Cl
InChIInChI=1S/C20H17ClN4/c1-24(2)19-18-15(14-8-4-3-5-9-14)12-25(20(18)23-13-22-19)17-11-7-6-10-16(17)21/h3-13H,1-2H3
InChIKeyLNXGZKAAYGZNDL-UHFFFAOYSA-N
XLogP4.81
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-N,N-dimethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(2-chlorophenyl)-N,N-dimethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 50749561) is 7-(2-chlorophenyl)-N,N-dimethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2-chlorophenyl)-N,N-dimethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2-chlorophenyl)-N,N-dimethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is CN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1Cl.
What is the InChIKey of 7-(2-chlorophenyl)-N,N-dimethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is LNXGZKAAYGZNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4/c1-24(2)19-18-15(14-8-4-3-5-9-14)12-25(20(18)23-13-22-19)17-11-7-6-10-16(17)21/h3-13H,1-2H3.
What are the key properties of 7-(2-chlorophenyl)-N,N-dimethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(2-chlorophenyl)-N,N-dimethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 348.84 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-N,N-dimethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 50749561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).