4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid

C15H15N5O2 — CID 69034806

IUPAC4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid
SMILESCN(C)c1cccc(Nc2ncnc3c2ccn3C(=O)O)c1
InChIInChI=1S/C15H15N5O2/c1-19(2)11-5-3-4-10(8-11)18-13-12-6-7-20(15(21)22)14(12)17-9-16-13/h3-9H,1-2H3,(H,21,22)(H,16,17,18)
InChIKeyGZVFYXQNLUYCES-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.77
Rot. Bonds3

About 4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid

4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid (PubChem CID 69034806) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid
PubChem CID69034806
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid
SMILESCN(C)c1cccc(Nc2ncnc3c2ccn3C(=O)O)c1
InChIInChI=1S/C15H15N5O2/c1-19(2)11-5-3-4-10(8-11)18-13-12-6-7-20(15(21)22)14(12)17-9-16-13/h3-9H,1-2H3,(H,21,22)(H,16,17,18)
InChIKeyGZVFYXQNLUYCES-UHFFFAOYSA-N
XLogP2.77
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(2-methoxyethylcarbamoyl)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid
CID 69038949
4-[3-(butylsulfamoyl)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid
CID 69038581
3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine
CID 110435229
2,4-bis[4-(3-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-3-one
CID 140999197
1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297977
5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid
CID 115378021
phenyl 4-(4-phenoxyanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate
CID 176914831
4-N-[3-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669910
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide
CID 173217946
4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine
CID 115376024
N-[4-[[8-[3-(dimethylamino)anilino]-7H-purin-6-yl]amino]phenyl]acetamide
CID 117088567

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid (CID 69034806) is 4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid is CN(C)c1cccc(Nc2ncnc3c2ccn3C(=O)O)c1.
What is the InChIKey of 4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid?
The InChIKey is GZVFYXQNLUYCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-19(2)11-5-3-4-10(8-11)18-13-12-6-7-20(15(21)22)14(12)17-9-16-13/h3-9H,1-2H3,(H,21,22)(H,16,17,18).
What are the key properties of 4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid?
4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid has a molecular weight of 297.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 69034806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).