1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine

C16H26N6 — CID 42886101

IUPAC1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)CC(CNc1ncnc2c1cnn2C)N1CCCC1
InChIInChI=1S/C16H26N6/c1-12(2)8-13(22-6-4-5-7-22)9-17-15-14-10-20-21(3)16(14)19-11-18-15/h10-13H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyBFBZEURDMHSGPU-UHFFFAOYSA-N
MW302.43 g/mol
LogP2.29
Rot. Bonds6

About 1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 42886101) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID42886101
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC Name1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)CC(CNc1ncnc2c1cnn2C)N1CCCC1
InChIInChI=1S/C16H26N6/c1-12(2)8-13(22-6-4-5-7-22)9-17-15-14-10-20-21(3)16(14)19-11-18-15/h10-13H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyBFBZEURDMHSGPU-UHFFFAOYSA-N
XLogP2.29
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 42886101) is 1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)CC(CNc1ncnc2c1cnn2C)N1CCCC1.
What is the InChIKey of 1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BFBZEURDMHSGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-12(2)8-13(22-6-4-5-7-22)9-17-15-14-10-20-21(3)16(14)19-11-18-15/h10-13H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 302.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 42886101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).