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

C20H27N5O — CID 4896854

IUPAC7-[3-(dimethylamino)propyl]-N-(3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2ncnc3c2c(C)c(C)n3CCCN(C)C)c1
InChIInChI=1S/C20H27N5O/c1-14-15(2)25(11-7-10-24(3)4)20-18(14)19(21-13-22-20)23-16-8-6-9-17(12-16)26-5/h6,8-9,12-13H,7,10-11H2,1-5H3,(H,21,22,23)
InChIKeyIAPOQROQOXLGPI-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.75
Rot. Bonds7

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

7-[3-(dimethylamino)propyl]-N-(3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4896854) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 7-[3-(dimethylamino)propyl]-N-(3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[3-(dimethylamino)propyl]-N-(3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4896854
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name7-[3-(dimethylamino)propyl]-N-(3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2ncnc3c2c(C)c(C)n3CCCN(C)C)c1
InChIInChI=1S/C20H27N5O/c1-14-15(2)25(11-7-10-24(3)4)20-18(14)19(21-13-22-20)23-16-8-6-9-17(12-16)26-5/h6,8-9,12-13H,7,10-11H2,1-5H3,(H,21,22,23)
InChIKeyIAPOQROQOXLGPI-UHFFFAOYSA-N
XLogP3.75
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)propyl]-N-(3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[3-(dimethylamino)propyl]-N-(3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4896854) is 7-[3-(dimethylamino)propyl]-N-(3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[3-(dimethylamino)propyl]-N-(3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[3-(dimethylamino)propyl]-N-(3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is COc1cccc(Nc2ncnc3c2c(C)c(C)n3CCCN(C)C)c1.
What is the InChIKey of 7-[3-(dimethylamino)propyl]-N-(3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is IAPOQROQOXLGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-14-15(2)25(11-7-10-24(3)4)20-18(14)19(21-13-22-20)23-16-8-6-9-17(12-16)26-5/h6,8-9,12-13H,7,10-11H2,1-5H3,(H,21,22,23).
What are the key properties of 7-[3-(dimethylamino)propyl]-N-(3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-[3-(dimethylamino)propyl]-N-(3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)propyl]-N-(3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4896854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).