N-cyclopentyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine

C13H19N5 — CID 39893209

IUPACN-cyclopentyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nc(NC2CCCC2)c2c(n1)c(C)nn2C
InChIInChI=1S/C13H19N5/c1-8-11-12(18(3)17-8)13(15-9(2)14-11)16-10-6-4-5-7-10/h10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyJJVBXYYLNCGTHV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.33
Rot. Bonds2

About N-cyclopentyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine

N-cyclopentyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 39893209) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-cyclopentyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID39893209
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-cyclopentyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nc(NC2CCCC2)c2c(n1)c(C)nn2C
InChIInChI=1S/C13H19N5/c1-8-11-12(18(3)17-8)13(15-9(2)14-11)16-10-6-4-5-7-10/h10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyJJVBXYYLNCGTHV-UHFFFAOYSA-N
XLogP2.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-cyclopentyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine (CID 39893209) is N-cyclopentyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopentyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-cyclopentyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine is Cc1nc(NC2CCCC2)c2c(n1)c(C)nn2C.
What is the InChIKey of N-cyclopentyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is JJVBXYYLNCGTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-8-11-12(18(3)17-8)13(15-9(2)14-11)16-10-6-4-5-7-10/h10H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of N-cyclopentyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine?
N-cyclopentyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 245.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 39893209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).