7-[3-(dimethylamino)propyl]-5,6-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C19H25N5 — CID 4974204

IUPAC7-[3-(dimethylamino)propyl]-5,6-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CCCN(C)C)c2ncnc(Nc3ccccc3)c12
InChIInChI=1S/C19H25N5/c1-14-15(2)24(12-8-11-23(3)4)19-17(14)18(20-13-21-19)22-16-9-6-5-7-10-16/h5-7,9-10,13H,8,11-12H2,1-4H3,(H,20,21,22)
InChIKeyZEIYLLYILJYKTK-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.74
Rot. Bonds6

About 7-[3-(dimethylamino)propyl]-5,6-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine

7-[3-(dimethylamino)propyl]-5,6-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4974204) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 7-[3-(dimethylamino)propyl]-5,6-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[3-(dimethylamino)propyl]-5,6-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4974204
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name7-[3-(dimethylamino)propyl]-5,6-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CCCN(C)C)c2ncnc(Nc3ccccc3)c12
InChIInChI=1S/C19H25N5/c1-14-15(2)24(12-8-11-23(3)4)19-17(14)18(20-13-21-19)22-16-9-6-5-7-10-16/h5-7,9-10,13H,8,11-12H2,1-4H3,(H,20,21,22)
InChIKeyZEIYLLYILJYKTK-UHFFFAOYSA-N
XLogP3.74
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)propyl]-5,6-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[3-(dimethylamino)propyl]-5,6-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4974204) is 7-[3-(dimethylamino)propyl]-5,6-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[3-(dimethylamino)propyl]-5,6-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[3-(dimethylamino)propyl]-5,6-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(CCCN(C)C)c2ncnc(Nc3ccccc3)c12.
What is the InChIKey of 7-[3-(dimethylamino)propyl]-5,6-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZEIYLLYILJYKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-14-15(2)24(12-8-11-23(3)4)19-17(14)18(20-13-21-19)22-16-9-6-5-7-10-16/h5-7,9-10,13H,8,11-12H2,1-4H3,(H,20,21,22).
What are the key properties of 7-[3-(dimethylamino)propyl]-5,6-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-[3-(dimethylamino)propyl]-5,6-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 323.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)propyl]-5,6-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4974204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).