9-cyclopropyl-6-(3,5-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine

C21H20N6O2 — CID 142780304

IUPAC9-cyclopropyl-6-(3,5-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine
SMILESCOc1cc(OC)cc(-c2nc(N)nc3c2nc(-c2ccncc2)n3C2CC2)c1
InChIInChI=1S/C21H20N6O2/c1-28-15-9-13(10-16(11-15)29-2)17-18-20(26-21(22)25-17)27(14-3-4-14)19(24-18)12-5-7-23-8-6-12/h5-11,14H,3-4H2,1-2H3,(H2,22,25,26)
InChIKeyIKPFSCIOPGOCEW-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.49
Rot. Bonds5

About 9-cyclopropyl-6-(3,5-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine

9-cyclopropyl-6-(3,5-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine (PubChem CID 142780304) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 9-cyclopropyl-6-(3,5-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine.

Molecular Properties

Compound Name9-cyclopropyl-6-(3,5-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine
PubChem CID142780304
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name9-cyclopropyl-6-(3,5-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine
SMILESCOc1cc(OC)cc(-c2nc(N)nc3c2nc(-c2ccncc2)n3C2CC2)c1
InChIInChI=1S/C21H20N6O2/c1-28-15-9-13(10-16(11-15)29-2)17-18-20(26-21(22)25-17)27(14-3-4-14)19(24-18)12-5-7-23-8-6-12/h5-11,14H,3-4H2,1-2H3,(H2,22,25,26)
InChIKeyIKPFSCIOPGOCEW-UHFFFAOYSA-N
XLogP3.49
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine
CID 62224312
8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-6-(3-ethylphenyl)purin-2-amine
CID 142780299
9-cyclopropyl-N-(2,4-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine
CID 24745012
9-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-8-pyridin-4-ylpurin-2-amine
CID 142780225
3-methoxy-5-pyridin-4-ylaniline
CID 71490877
6-chloro-8-(3-methoxyphenyl)-2-methyl-9-(oxan-4-yl)purine
CID 59374569
9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine
CID 168921464
4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylimidazol-4-yl]pyridine
CID 174294674
3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine
CID 86275507
4-[2-(6-chlorobenzimidazol-1-yl)-8-methyl-6-pyridin-4-ylpurin-9-yl]cyclohexan-1-one
CID 143654620
4-cyclopropyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
CID 4962549
2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258910

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6-(3,5-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine?
The IUPAC name of 9-cyclopropyl-6-(3,5-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine (CID 142780304) is 9-cyclopropyl-6-(3,5-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine.
What is the SMILES notation for 9-cyclopropyl-6-(3,5-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine?
The canonical SMILES for 9-cyclopropyl-6-(3,5-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine is COc1cc(OC)cc(-c2nc(N)nc3c2nc(-c2ccncc2)n3C2CC2)c1.
What is the InChIKey of 9-cyclopropyl-6-(3,5-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine?
The InChIKey is IKPFSCIOPGOCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-28-15-9-13(10-16(11-15)29-2)17-18-20(26-21(22)25-17)27(14-3-4-14)19(24-18)12-5-7-23-8-6-12/h5-11,14H,3-4H2,1-2H3,(H2,22,25,26).
What are the key properties of 9-cyclopropyl-6-(3,5-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine?
9-cyclopropyl-6-(3,5-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine has a molecular weight of 388.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6-(3,5-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine is sourced from PubChem (CID 142780304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).