7-benzyl-4-methyl-5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine

C26H30N4O4 — CID 53358095

IUPAC7-benzyl-4-methyl-5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(CCc2cn(Cc3ccccc3)c3nc(N)nc(C)c23)c(OC)c(OC)c1OC
InChIInChI=1S/C26H30N4O4/c1-16-21-19(12-11-18-13-20(31-2)23(33-4)24(34-5)22(18)32-3)15-30(25(21)29-26(27)28-16)14-17-9-7-6-8-10-17/h6-10,13,15H,11-12,14H2,1-5H3,(H2,27,28,29)
InChIKeyWMEXQYQNBCJWGE-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.19
Rot. Bonds9

About 7-benzyl-4-methyl-5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine

7-benzyl-4-methyl-5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 53358095) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 7-benzyl-4-methyl-5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-benzyl-4-methyl-5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID53358095
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name7-benzyl-4-methyl-5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(CCc2cn(Cc3ccccc3)c3nc(N)nc(C)c23)c(OC)c(OC)c1OC
InChIInChI=1S/C26H30N4O4/c1-16-21-19(12-11-18-13-20(31-2)23(33-4)24(34-5)22(18)32-3)15-30(25(21)29-26(27)28-16)14-17-9-7-6-8-10-17/h6-10,13,15H,11-12,14H2,1-5H3,(H2,27,28,29)
InChIKeyWMEXQYQNBCJWGE-UHFFFAOYSA-N
XLogP4.19
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-methyl-5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-benzyl-4-methyl-5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 53358095) is 7-benzyl-4-methyl-5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-benzyl-4-methyl-5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-benzyl-4-methyl-5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine is COc1cc(CCc2cn(Cc3ccccc3)c3nc(N)nc(C)c23)c(OC)c(OC)c1OC.
What is the InChIKey of 7-benzyl-4-methyl-5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is WMEXQYQNBCJWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-16-21-19(12-11-18-13-20(31-2)23(33-4)24(34-5)22(18)32-3)15-30(25(21)29-26(27)28-16)14-17-9-7-6-8-10-17/h6-10,13,15H,11-12,14H2,1-5H3,(H2,27,28,29).
What are the key properties of 7-benzyl-4-methyl-5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine?
7-benzyl-4-methyl-5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 462.55 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4-methyl-5-[2-(2,3,4,5-tetramethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 53358095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).