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

C22H23N5O2 — CID 993516

IUPACN-(2,5-dimethoxyphenyl)-6-methyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2nc(C)nc3c2cnn3CCc2ccccc2)c1
InChIInChI=1S/C22H23N5O2/c1-15-24-21(26-19-13-17(28-2)9-10-20(19)29-3)18-14-23-27(22(18)25-15)12-11-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,24,25,26)
InChIKeyVYJYVFJZZGSFEQ-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.14
Rot. Bonds7

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

N-(2,5-dimethoxyphenyl)-6-methyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 993516) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-methyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-methyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID993516
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(2,5-dimethoxyphenyl)-6-methyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2nc(C)nc3c2cnn3CCc2ccccc2)c1
InChIInChI=1S/C22H23N5O2/c1-15-24-21(26-19-13-17(28-2)9-10-20(19)29-3)18-14-23-27(22(18)25-15)12-11-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,24,25,26)
InChIKeyVYJYVFJZZGSFEQ-UHFFFAOYSA-N
XLogP4.14
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-N-(2,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4897823
6-N-benzyl-4-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871595
4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112872258
4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17017044
2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70166799
ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate
CID 1192543
3-(2,5-dimethoxyanilino)-1-[2-(4-methoxyphenyl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110594208
4-N-(2,5-dimethoxyphenyl)-5-nitro-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 3773330
N-(2,5-dimethoxyphenyl)-4-methylquinolin-2-amine
CID 806171
4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877885
2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine
CID 10548612
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 1393536

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-methyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-methyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 993516) is N-(2,5-dimethoxyphenyl)-6-methyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-methyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-methyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(OC)c(Nc2nc(C)nc3c2cnn3CCc2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-methyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is VYJYVFJZZGSFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-24-21(26-19-13-17(28-2)9-10-20(19)29-3)18-14-23-27(22(18)25-15)12-11-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,24,25,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-methyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-(2,5-dimethoxyphenyl)-6-methyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 389.46 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-methyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 993516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).