3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine

C13H15N7 — CID 144988941

IUPAC3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine
SMILESCCCc1cncc(-c2nn(N)c3ncnc(N)c23)c1
InChIInChI=1S/C13H15N7/c1-2-3-8-4-9(6-16-5-8)11-10-12(14)17-7-18-13(10)20(15)19-11/h4-7H,2-3,15H2,1H3,(H2,14,17,18)
InChIKeyFXKKZRLCXYKSRH-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.14
Rot. Bonds3

About 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine

3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine (PubChem CID 144988941) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine.

Molecular Properties

Compound Name3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine
PubChem CID144988941
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine
SMILESCCCc1cncc(-c2nn(N)c3ncnc(N)c23)c1
InChIInChI=1S/C13H15N7/c1-2-3-8-4-9(6-16-5-8)11-10-12(14)17-7-18-13(10)20(15)19-11/h4-7H,2-3,15H2,1H3,(H2,14,17,18)
InChIKeyFXKKZRLCXYKSRH-UHFFFAOYSA-N
XLogP1.14
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine?
The IUPAC name of 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine (CID 144988941) is 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine.
What is the SMILES notation for 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine?
The canonical SMILES for 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine is CCCc1cncc(-c2nn(N)c3ncnc(N)c23)c1.
What is the InChIKey of 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine?
The InChIKey is FXKKZRLCXYKSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-2-3-8-4-9(6-16-5-8)11-10-12(14)17-7-18-13(10)20(15)19-11/h4-7H,2-3,15H2,1H3,(H2,14,17,18).
What are the key properties of 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine?
3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine has a molecular weight of 269.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-1,4-diamine is sourced from PubChem (CID 144988941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).