6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-pyridin-3-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C15H18N8 — CID 155413685

IUPAC6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-pyridin-3-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(Nc3cccnc3)nc(NCC3(N)CC3)nc21
InChIInChI=1S/C15H18N8/c1-23-13-11(8-19-23)12(20-10-3-2-6-17-7-10)21-14(22-13)18-9-15(16)4-5-15/h2-3,6-8H,4-5,9,16H2,1H3,(H2,18,20,21,22)
InChIKeyDASXPUFMCXOUBA-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.41
Rot. Bonds5

About 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-pyridin-3-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-pyridin-3-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 155413685) has the molecular formula C15H18N8 and a molecular weight of 310.37 g/mol. Its IUPAC name is 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-pyridin-3-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-pyridin-3-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID155413685
Molecular FormulaC15H18N8
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-pyridin-3-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(Nc3cccnc3)nc(NCC3(N)CC3)nc21
InChIInChI=1S/C15H18N8/c1-23-13-11(8-19-23)12(20-10-3-2-6-17-7-10)21-14(22-13)18-9-15(16)4-5-15/h2-3,6-8H,4-5,9,16H2,1H3,(H2,18,20,21,22)
InChIKeyDASXPUFMCXOUBA-UHFFFAOYSA-N
XLogP1.41
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-pyridin-3-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-pyridin-3-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 155413685) is 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-pyridin-3-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-pyridin-3-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-pyridin-3-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine is Cn1ncc2c(Nc3cccnc3)nc(NCC3(N)CC3)nc21.
What is the InChIKey of 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-pyridin-3-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is DASXPUFMCXOUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8/c1-23-13-11(8-19-23)12(20-10-3-2-6-17-7-10)21-14(22-13)18-9-15(16)4-5-15/h2-3,6-8H,4-5,9,16H2,1H3,(H2,18,20,21,22).
What are the key properties of 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-pyridin-3-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-pyridin-3-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 310.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-pyridin-3-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 155413685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).