3,5-dimethyl-N-(1-prop-1-en-2-ylpiperidin-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine

C15H22N6 — CID 166898293

IUPAC3,5-dimethyl-N-(1-prop-1-en-2-ylpiperidin-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESC=C(C)N1CCC(Nc2nc(C)nc3c(C)[nH]nc23)CC1
InChIInChI=1S/C15H22N6/c1-9(2)21-7-5-12(6-8-21)18-15-14-13(10(3)19-20-14)16-11(4)17-15/h12H,1,5-8H2,2-4H3,(H,19,20)(H,16,17,18)
InChIKeyXNPKXLLPLKDZKZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.38
Rot. Bonds3

About 3,5-dimethyl-N-(1-prop-1-en-2-ylpiperidin-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine

3,5-dimethyl-N-(1-prop-1-en-2-ylpiperidin-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 166898293) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-prop-1-en-2-ylpiperidin-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-prop-1-en-2-ylpiperidin-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID166898293
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name3,5-dimethyl-N-(1-prop-1-en-2-ylpiperidin-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESC=C(C)N1CCC(Nc2nc(C)nc3c(C)[nH]nc23)CC1
InChIInChI=1S/C15H22N6/c1-9(2)21-7-5-12(6-8-21)18-15-14-13(10(3)19-20-14)16-11(4)17-15/h12H,1,5-8H2,2-4H3,(H,19,20)(H,16,17,18)
InChIKeyXNPKXLLPLKDZKZ-UHFFFAOYSA-N
XLogP2.38
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-prop-1-en-2-ylpiperidin-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 3,5-dimethyl-N-(1-prop-1-en-2-ylpiperidin-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine (CID 166898293) is 3,5-dimethyl-N-(1-prop-1-en-2-ylpiperidin-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 3,5-dimethyl-N-(1-prop-1-en-2-ylpiperidin-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 3,5-dimethyl-N-(1-prop-1-en-2-ylpiperidin-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine is C=C(C)N1CCC(Nc2nc(C)nc3c(C)[nH]nc23)CC1.
What is the InChIKey of 3,5-dimethyl-N-(1-prop-1-en-2-ylpiperidin-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is XNPKXLLPLKDZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-9(2)21-7-5-12(6-8-21)18-15-14-13(10(3)19-20-14)16-11(4)17-15/h12H,1,5-8H2,2-4H3,(H,19,20)(H,16,17,18).
What are the key properties of 3,5-dimethyl-N-(1-prop-1-en-2-ylpiperidin-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
3,5-dimethyl-N-(1-prop-1-en-2-ylpiperidin-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 286.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-prop-1-en-2-ylpiperidin-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 166898293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).