7-benzyl-5-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine

C24H26N4O2 — CID 53358093

IUPAC7-benzyl-5-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1ccc(CCc2cn(Cc3ccccc3)c3nc(N)nc(C)c23)c(OC)c1
InChIInChI=1S/C24H26N4O2/c1-16-22-19(10-9-18-11-12-20(29-2)13-21(18)30-3)15-28(23(22)27-24(25)26-16)14-17-7-5-4-6-8-17/h4-8,11-13,15H,9-10,14H2,1-3H3,(H2,25,26,27)
InChIKeyCEFFHAVELVVIDH-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.17
Rot. Bonds7

About 7-benzyl-5-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine

7-benzyl-5-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 53358093) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 7-benzyl-5-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-benzyl-5-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID53358093
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name7-benzyl-5-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1ccc(CCc2cn(Cc3ccccc3)c3nc(N)nc(C)c23)c(OC)c1
InChIInChI=1S/C24H26N4O2/c1-16-22-19(10-9-18-11-12-20(29-2)13-21(18)30-3)15-28(23(22)27-24(25)26-16)14-17-7-5-4-6-8-17/h4-8,11-13,15H,9-10,14H2,1-3H3,(H2,25,26,27)
InChIKeyCEFFHAVELVVIDH-UHFFFAOYSA-N
XLogP4.17
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-5-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-benzyl-5-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine (CID 53358093) is 7-benzyl-5-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-benzyl-5-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-benzyl-5-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine is COc1ccc(CCc2cn(Cc3ccccc3)c3nc(N)nc(C)c23)c(OC)c1.
What is the InChIKey of 7-benzyl-5-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is CEFFHAVELVVIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-22-19(10-9-18-11-12-20(29-2)13-21(18)30-3)15-28(23(22)27-24(25)26-16)14-17-7-5-4-6-8-17/h4-8,11-13,15H,9-10,14H2,1-3H3,(H2,25,26,27).
What are the key properties of 7-benzyl-5-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine?
7-benzyl-5-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 402.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-5-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 53358093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).