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

C28H34N4O6 — CID 71524578

IUPAC4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-7-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(CCc2cn(Cc3cc(OC)c(OC)c(OC)c3)c3nc(N)nc(C)c23)cc(OC)c1OC
InChIInChI=1S/C28H34N4O6/c1-16-24-19(9-8-17-10-20(33-2)25(37-6)21(11-17)34-3)15-32(27(24)31-28(29)30-16)14-18-12-22(35-4)26(38-7)23(13-18)36-5/h10-13,15H,8-9,14H2,1-7H3,(H2,29,30,31)
InChIKeyXALMYFGJXCPMKR-UHFFFAOYSA-N
MW522.60 g/mol
LogP4.21
Rot. Bonds11

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

4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-7-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 71524578) has the molecular formula C28H34N4O6 and a molecular weight of 522.60 g/mol. Its IUPAC name is 4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-7-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-7-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID71524578
Molecular FormulaC28H34N4O6
Molecular Weight522.60 g/mol
Exact Mass522.25
IUPAC Name4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-7-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(CCc2cn(Cc3cc(OC)c(OC)c(OC)c3)c3nc(N)nc(C)c23)cc(OC)c1OC
InChIInChI=1S/C28H34N4O6/c1-16-24-19(9-8-17-10-20(33-2)25(37-6)21(11-17)34-3)15-32(27(24)31-28(29)30-16)14-18-12-22(35-4)26(38-7)23(13-18)36-5/h10-13,15H,8-9,14H2,1-7H3,(H2,29,30,31)
InChIKeyXALMYFGJXCPMKR-UHFFFAOYSA-N
XLogP4.21
TPSA112.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.60
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-7-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-7-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 71524578) is 4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-7-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-7-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-7-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is COc1cc(CCc2cn(Cc3cc(OC)c(OC)c(OC)c3)c3nc(N)nc(C)c23)cc(OC)c1OC.
What is the InChIKey of 4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-7-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is XALMYFGJXCPMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O6/c1-16-24-19(9-8-17-10-20(33-2)25(37-6)21(11-17)34-3)15-32(27(24)31-28(29)30-16)14-18-12-22(35-4)26(38-7)23(13-18)36-5/h10-13,15H,8-9,14H2,1-7H3,(H2,29,30,31).
What are the key properties of 4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-7-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-7-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 522.60 g/mol, XLogP of 4.21, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-7-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 71524578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).