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

C27H32N4O5 — CID 71525277

IUPAC7-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1ccc(Cn2cc(CCc3cc(OC)c(OC)c(OC)c3)c3c(C)nc(N)nc32)cc1OC
InChIInChI=1S/C27H32N4O5/c1-16-24-19(9-7-17-11-22(34-4)25(36-6)23(12-17)35-5)15-31(26(24)30-27(28)29-16)14-18-8-10-20(32-2)21(13-18)33-3/h8,10-13,15H,7,9,14H2,1-6H3,(H2,28,29,30)
InChIKeyVBWGMYYHLARHEO-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.20
Rot. Bonds10

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

7-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 71525277) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is 7-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID71525277
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC Name7-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1ccc(Cn2cc(CCc3cc(OC)c(OC)c(OC)c3)c3c(C)nc(N)nc32)cc1OC
InChIInChI=1S/C27H32N4O5/c1-16-24-19(9-7-17-11-22(34-4)25(36-6)23(12-17)35-5)15-31(26(24)30-27(28)29-16)14-18-8-10-20(32-2)21(13-18)33-3/h8,10-13,15H,7,9,14H2,1-6H3,(H2,28,29,30)
InChIKeyVBWGMYYHLARHEO-UHFFFAOYSA-N
XLogP4.20
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 71525277) is 7-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine is COc1ccc(Cn2cc(CCc3cc(OC)c(OC)c(OC)c3)c3c(C)nc(N)nc32)cc1OC.
What is the InChIKey of 7-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is VBWGMYYHLARHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-16-24-19(9-7-17-11-22(34-4)25(36-6)23(12-17)35-5)15-31(26(24)30-27(28)29-16)14-18-8-10-20(32-2)21(13-18)33-3/h8,10-13,15H,7,9,14H2,1-6H3,(H2,28,29,30).
What are the key properties of 7-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine?
7-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 492.58 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 71525277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).