6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine

C15H18N6 — CID 80726200

IUPAC6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(C)nc2c1cnn2-c1cc(C)ccn1
InChIInChI=1S/C15H18N6/c1-4-6-17-14-12-9-18-21(15(12)20-11(3)19-14)13-8-10(2)5-7-16-13/h5,7-9H,4,6H2,1-3H3,(H,17,19,20)
InChIKeyYVDIHKYPMROXRI-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.65
Rot. Bonds4

About 6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine

6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 80726200) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID80726200
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(C)nc2c1cnn2-c1cc(C)ccn1
InChIInChI=1S/C15H18N6/c1-4-6-17-14-12-9-18-21(15(12)20-11(3)19-14)13-8-10(2)5-7-16-13/h5,7-9H,4,6H2,1-3H3,(H,17,19,20)
InChIKeyYVDIHKYPMROXRI-UHFFFAOYSA-N
XLogP2.65
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 80726200) is 6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCNc1nc(C)nc2c1cnn2-c1cc(C)ccn1.
What is the InChIKey of 6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YVDIHKYPMROXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-4-6-17-14-12-9-18-21(15(12)20-11(3)19-14)13-8-10(2)5-7-16-13/h5,7-9H,4,6H2,1-3H3,(H,17,19,20).
What are the key properties of 6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 80726200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).