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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Related Compounds

8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(2-methoxyphenyl)purin-2-amine
CID 174584365
9-[(2,4-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-8-pyridin-4-ylpurin-2-amine
CID 58441997
8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one
CID 3235426
5-chloro-4-N-[2-(cyclobutylamino)sulfanylphenyl]-2-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 143003172
9-cyclopropyl-6-(3,5-dimethoxyphenyl)-8-pyridin-4-ylpurin-2-amine
CID 142780304
N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 1068515
N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine
CID 42628931
4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 10760798
N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 1126120
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine
CID 46286860
5-chloro-4-N-[2-(cyclobutylamino)sulfanylphenyl]-2-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine;1-methylpyrrolidine
CID 143003171
8-cyclopentyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 163387131

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).