1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine

C12H17N5O — CID 64574186

IUPAC1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine
SMILESCn1ncc2c(OCC3(N)CCCC3)ncnc21
InChIInChI=1S/C12H17N5O/c1-17-10-9(6-16-17)11(15-8-14-10)18-7-12(13)4-2-3-5-12/h6,8H,2-5,7,13H2,1H3
InChIKeyYRJVBCXPLYXMHK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.01
Rot. Bonds3

About 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine

1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine (PubChem CID 64574186) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine
PubChem CID64574186
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine
SMILESCn1ncc2c(OCC3(N)CCCC3)ncnc21
InChIInChI=1S/C12H17N5O/c1-17-10-9(6-16-17)11(15-8-14-10)18-7-12(13)4-2-3-5-12/h6,8H,2-5,7,13H2,1H3
InChIKeyYRJVBCXPLYXMHK-UHFFFAOYSA-N
XLogP1.01
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine (CID 64574186) is 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine is Cn1ncc2c(OCC3(N)CCCC3)ncnc21.
What is the InChIKey of 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine?
The InChIKey is YRJVBCXPLYXMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-17-10-9(6-16-17)11(15-8-14-10)18-7-12(13)4-2-3-5-12/h6,8H,2-5,7,13H2,1H3.
What are the key properties of 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine?
1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine has a molecular weight of 247.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 64574186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).