9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine

C21H20N6O2 — CID 24745012

IUPAC9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine
SMILESCOc1ccc(Nc2ncc3nc(-c4ccncc4)n(C4CC4)c3n2)c(OC)c1
InChIInChI=1S/C21H20N6O2/c1-28-15-5-6-16(18(11-15)29-2)25-21-23-12-17-20(26-21)27(14-3-4-14)19(24-17)13-7-9-22-10-8-13/h5-12,14H,3-4H2,1-2H3,(H,23,25,26)
InChIKeyNPAPKEPLPPFZHX-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.98
Rot. Bonds6

About 9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine

9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine (PubChem CID 24745012) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine.

Molecular Properties

Compound Name9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine
PubChem CID24745012
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine
SMILESCOc1ccc(Nc2ncc3nc(-c4ccncc4)n(C4CC4)c3n2)c(OC)c1
InChIInChI=1S/C21H20N6O2/c1-28-15-5-6-16(18(11-15)29-2)25-21-23-12-17-20(26-21)27(14-3-4-14)19(24-17)13-7-9-22-10-8-13/h5-12,14H,3-4H2,1-2H3,(H,23,25,26)
InChIKeyNPAPKEPLPPFZHX-UHFFFAOYSA-N
XLogP3.98
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine?
The IUPAC name of 9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine (CID 24745012) is 9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine.
What is the SMILES notation for 9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine?
The canonical SMILES for 9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine is COc1ccc(Nc2ncc3nc(-c4ccncc4)n(C4CC4)c3n2)c(OC)c1.
What is the InChIKey of 9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine?
The InChIKey is NPAPKEPLPPFZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-28-15-5-6-16(18(11-15)29-2)25-21-23-12-17-20(26-21)27(14-3-4-14)19(24-17)13-7-9-22-10-8-13/h5-12,14H,3-4H2,1-2H3,(H,23,25,26).
What are the key properties of 9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine?
9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine has a molecular weight of 388.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine is sourced from PubChem (CID 24745012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).