N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C14H23N7 — CID 63220746

IUPACN,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(CN2CCCN(C)CC2)nc2c1cnn2C
InChIInChI=1S/C14H23N7/c1-15-13-11-9-16-20(3)14(11)18-12(17-13)10-21-6-4-5-19(2)7-8-21/h9H,4-8,10H2,1-3H3,(H,15,17,18)
InChIKeyPFKUEDUEYIGMQJ-UHFFFAOYSA-N
MW289.39 g/mol
LogP0.54
Rot. Bonds3

About N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63220746) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63220746
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC NameN,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(CN2CCCN(C)CC2)nc2c1cnn2C
InChIInChI=1S/C14H23N7/c1-15-13-11-9-16-20(3)14(11)18-12(17-13)10-21-6-4-5-19(2)7-8-21/h9H,4-8,10H2,1-3H3,(H,15,17,18)
InChIKeyPFKUEDUEYIGMQJ-UHFFFAOYSA-N
XLogP0.54
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine
CID 63220594
N-ethyl-1-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220147
N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220563
6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220823
6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103538617
1-[[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione
CID 63220999
[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol
CID 63221291
N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220908
3-[[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64830431
[6-[(4,4-dimethylpiperidin-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63222122
6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221324
1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220654

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 63220746) is N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CNc1nc(CN2CCCN(C)CC2)nc2c1cnn2C.
What is the InChIKey of N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PFKUEDUEYIGMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-15-13-11-9-16-20(3)14(11)18-12(17-13)10-21-6-4-5-19(2)7-8-21/h9H,4-8,10H2,1-3H3,(H,15,17,18).
What are the key properties of N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 289.39 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63220746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).