N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

C19H24N6O2 — CID 50795273

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(OC)c(CNc2nc(N3CCCC3)nc3c2cnn3C)c1
InChIInChI=1S/C19H24N6O2/c1-24-18-15(12-21-24)17(22-19(23-18)25-8-4-5-9-25)20-11-13-10-14(26-2)6-7-16(13)27-3/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22,23)
InChIKeyATVGUGUFCPRUHM-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.59
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 50795273) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID50795273
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(OC)c(CNc2nc(N3CCCC3)nc3c2cnn3C)c1
InChIInChI=1S/C19H24N6O2/c1-24-18-15(12-21-24)17(22-19(23-18)25-8-4-5-9-25)20-11-13-10-14(26-2)6-7-16(13)27-3/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22,23)
InChIKeyATVGUGUFCPRUHM-UHFFFAOYSA-N
XLogP2.59
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-[(2,5-dimethoxyphenyl)methyl]-6-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795295
N-[(2-methoxyphenyl)methyl]-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 146059648
6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795266
4-N-[(2,5-dimethoxyphenyl)methyl]-6-N-(3-methoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795281
N-[(2-chlorophenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795113
N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 46940706
1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795315
6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795108
1-methyl-N-[(2-methylphenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 50795453
2-[4-[4-[(2-chlorophenyl)methylamino]-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol
CID 50795107
N-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 50795196
N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 8547141

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 50795273) is N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(OC)c(CNc2nc(N3CCCC3)nc3c2cnn3C)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ATVGUGUFCPRUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-24-18-15(12-21-24)17(22-19(23-18)25-8-4-5-9-25)20-11-13-10-14(26-2)6-7-16(13)27-3/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22,23).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 368.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 50795273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).