7-benzyl-5,6-dimethyl-4-(2-piperazin-1-ylethoxy)pyrrolo[2,3-d]pyrimidine

C21H27N5O — CID 57389815

IUPAC7-benzyl-5,6-dimethyl-4-(2-piperazin-1-ylethoxy)pyrrolo[2,3-d]pyrimidine
SMILESCc1c(C)n(Cc2ccccc2)c2ncnc(OCCN3CCNCC3)c12
InChIInChI=1S/C21H27N5O/c1-16-17(2)26(14-18-6-4-3-5-7-18)20-19(16)21(24-15-23-20)27-13-12-25-10-8-22-9-11-25/h3-7,15,22H,8-14H2,1-2H3
InChIKeyYPUWSORNGVLDMT-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.38
Rot. Bonds6

About 7-benzyl-5,6-dimethyl-4-(2-piperazin-1-ylethoxy)pyrrolo[2,3-d]pyrimidine

7-benzyl-5,6-dimethyl-4-(2-piperazin-1-ylethoxy)pyrrolo[2,3-d]pyrimidine (PubChem CID 57389815) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 7-benzyl-5,6-dimethyl-4-(2-piperazin-1-ylethoxy)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-5,6-dimethyl-4-(2-piperazin-1-ylethoxy)pyrrolo[2,3-d]pyrimidine
PubChem CID57389815
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name7-benzyl-5,6-dimethyl-4-(2-piperazin-1-ylethoxy)pyrrolo[2,3-d]pyrimidine
SMILESCc1c(C)n(Cc2ccccc2)c2ncnc(OCCN3CCNCC3)c12
InChIInChI=1S/C21H27N5O/c1-16-17(2)26(14-18-6-4-3-5-7-18)20-19(16)21(24-15-23-20)27-13-12-25-10-8-22-9-11-25/h3-7,15,22H,8-14H2,1-2H3
InChIKeyYPUWSORNGVLDMT-UHFFFAOYSA-N
XLogP2.38
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-5,6-dimethyl-4-(2-piperazin-1-ylethoxy)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-benzyl-5,6-dimethyl-4-(2-piperazin-1-ylethoxy)pyrrolo[2,3-d]pyrimidine (CID 57389815) is 7-benzyl-5,6-dimethyl-4-(2-piperazin-1-ylethoxy)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-benzyl-5,6-dimethyl-4-(2-piperazin-1-ylethoxy)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-benzyl-5,6-dimethyl-4-(2-piperazin-1-ylethoxy)pyrrolo[2,3-d]pyrimidine is Cc1c(C)n(Cc2ccccc2)c2ncnc(OCCN3CCNCC3)c12.
What is the InChIKey of 7-benzyl-5,6-dimethyl-4-(2-piperazin-1-ylethoxy)pyrrolo[2,3-d]pyrimidine?
The InChIKey is YPUWSORNGVLDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16-17(2)26(14-18-6-4-3-5-7-18)20-19(16)21(24-15-23-20)27-13-12-25-10-8-22-9-11-25/h3-7,15,22H,8-14H2,1-2H3.
What are the key properties of 7-benzyl-5,6-dimethyl-4-(2-piperazin-1-ylethoxy)pyrrolo[2,3-d]pyrimidine?
7-benzyl-5,6-dimethyl-4-(2-piperazin-1-ylethoxy)pyrrolo[2,3-d]pyrimidine has a molecular weight of 365.48 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-5,6-dimethyl-4-(2-piperazin-1-ylethoxy)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 57389815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).