1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine

C15H24N6 — CID 110431932

IUPAC1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(NCCCCN3CCCC3)c12
InChIInChI=1S/C15H24N6/c1-12-13-14(17-11-18-15(13)20(2)19-12)16-7-3-4-8-21-9-5-6-10-21/h11H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyIXDUCHNZCBVBNR-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.96
Rot. Bonds6

About 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine

1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110431932) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110431932
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(NCCCCN3CCCC3)c12
InChIInChI=1S/C15H24N6/c1-12-13-14(17-11-18-15(13)20(2)19-12)16-7-3-4-8-21-9-5-6-10-21/h11H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyIXDUCHNZCBVBNR-UHFFFAOYSA-N
XLogP1.96
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 70751320
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431937
N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 110431927
1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431880
[1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
CID 70738666
1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431951
1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56899250
5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine
CID 82057653
3-bromo-1-methyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 133305017
4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine
CID 13125572
N-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431901
1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine
CID 55140744

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 110431932) is 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C)c2ncnc(NCCCCN3CCCC3)c12.
What is the InChIKey of 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IXDUCHNZCBVBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-12-13-14(17-11-18-15(13)20(2)19-12)16-7-3-4-8-21-9-5-6-10-21/h11H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 288.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110431932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).