1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine

C18H23N7 — CID 122149353

IUPAC1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(N)nc(NCc3cccc(CN4CCCC4)c3)nc21
InChIInChI=1S/C18H23N7/c1-24-17-15(11-21-24)16(19)22-18(23-17)20-10-13-5-4-6-14(9-13)12-25-7-2-3-8-25/h4-6,9,11H,2-3,7-8,10,12H2,1H3,(H3,19,20,22,23)
InChIKeyNJHNBFITIFUSHL-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.15
Rot. Bonds5

About 1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine

1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 122149353) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID122149353
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(N)nc(NCc3cccc(CN4CCCC4)c3)nc21
InChIInChI=1S/C18H23N7/c1-24-17-15(11-21-24)16(19)22-18(23-17)20-10-13-5-4-6-14(9-13)12-25-7-2-3-8-25/h4-6,9,11H,2-3,7-8,10,12H2,1H3,(H3,19,20,22,23)
InChIKeyNJHNBFITIFUSHL-UHFFFAOYSA-N
XLogP2.15
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

6,7-dimethoxy-2-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine
CID 56557143
6-N-(2,2-diphenylethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 86804856
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 62438354
1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 7216392
1-methyl-6-(1,4-thiazepan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221217
4-amino-2-(butylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pteridine-6,7-dione
CID 46240841
4-amino-2-(2,2-dimethylpropylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 149108631
4-N-benzyl-1-methyl-6-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 7216335
N'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine
CID 155413689
N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220563
2-amino-2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 119847245
[1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol
CID 63220738

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 122149353) is 1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine is Cn1ncc2c(N)nc(NCc3cccc(CN4CCCC4)c3)nc21.
What is the InChIKey of 1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is NJHNBFITIFUSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-24-17-15(11-21-24)16(19)22-18(23-17)20-10-13-5-4-6-14(9-13)12-25-7-2-3-8-25/h4-6,9,11H,2-3,7-8,10,12H2,1H3,(H3,19,20,22,23).
What are the key properties of 1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 337.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 122149353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).