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

C21H21N5O3 — CID 11200156

IUPAC7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(CNc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC
InChIInChI=1S/C21H21N5O3/c1-27-16-10-14(11-17(28-2)19(16)29-3)12-23-21-24-13-15-7-9-26(20(15)25-21)18-6-4-5-8-22-18/h4-11,13H,12H2,1-3H3,(H,23,24,25)
InChIKeyRSOYZWWGCDTTDT-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.45
Rot. Bonds7

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

7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11200156) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11200156
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(CNc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC
InChIInChI=1S/C21H21N5O3/c1-27-16-10-14(11-17(28-2)19(16)29-3)12-23-21-24-13-15-7-9-26(20(15)25-21)18-6-4-5-8-22-18/h4-11,13H,12H2,1-3H3,(H,23,24,25)
InChIKeyRSOYZWWGCDTTDT-UHFFFAOYSA-N
XLogP3.45
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 11200156) is 7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is COc1cc(CNc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC.
What is the InChIKey of 7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is RSOYZWWGCDTTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-27-16-10-14(11-17(28-2)19(16)29-3)12-23-21-24-13-15-7-9-26(20(15)25-21)18-6-4-5-8-22-18/h4-11,13H,12H2,1-3H3,(H,23,24,25).
What are the key properties of 7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 391.43 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11200156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).