N-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C24H26N4O — CID 3563626

IUPACN-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1
InChIInChI=1S/C24H26N4O/c1-4-5-15-27(2)23-22-21(18-9-7-6-8-10-18)16-28(24(22)26-17-25-23)19-11-13-20(29-3)14-12-19/h6-14,16-17H,4-5,15H2,1-3H3
InChIKeyNUYNRPYIRAYXCQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.33
Rot. Bonds7

About N-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

N-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 3563626) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID3563626
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1
InChIInChI=1S/C24H26N4O/c1-4-5-15-27(2)23-22-21(18-9-7-6-8-10-18)16-28(24(22)26-17-25-23)19-11-13-20(29-3)14-12-19/h6-14,16-17H,4-5,15H2,1-3H3
InChIKeyNUYNRPYIRAYXCQ-UHFFFAOYSA-N
XLogP5.33
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 3563626) is N-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is CCCCN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1.
What is the InChIKey of N-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NUYNRPYIRAYXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-4-5-15-27(2)23-22-21(18-9-7-6-8-10-18)16-28(24(22)26-17-25-23)19-11-13-20(29-3)14-12-19/h6-14,16-17H,4-5,15H2,1-3H3.
What are the key properties of N-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
N-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 386.50 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 3563626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).