1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C15H21N5O — CID 137275475

IUPAC1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(NC3CC=CCC3)nc21
InChIInChI=1S/C15H21N5O/c1-15(2,3)20-12-11(9-16-20)13(21)19-14(18-12)17-10-7-5-4-6-8-10/h4-5,9-10H,6-8H2,1-3H3,(H2,17,18,19,21)
InChIKeyFXLIIYNVHSIUKV-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.40
Rot. Bonds2

About 1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137275475) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137275475
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(NC3CC=CCC3)nc21
InChIInChI=1S/C15H21N5O/c1-15(2,3)20-12-11(9-16-20)13(21)19-14(18-12)17-10-7-5-4-6-8-10/h4-5,9-10H,6-8H2,1-3H3,(H2,17,18,19,21)
InChIKeyFXLIIYNVHSIUKV-UHFFFAOYSA-N
XLogP2.40
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135410309
6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135732721
N-hexyl-7-methyl-5-methylidene-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136153074
US10118930, Example 51
CID 137018245
US10118930, Example 99
CID 137018285
US10118930, Example 19
CID 137018318
US10118930, Example 91
CID 137018337
US10118930, Example 93
CID 137018341
US10118930, Example 96
CID 137018343
US10118930, Example 370
CID 137018423
US10118930, Example 21
CID 137018451
US10118930, Example 325
CID 137018531

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137275475) is 1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)n1ncc2c(=O)[nH]c(NC3CC=CCC3)nc21.
What is the InChIKey of 1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FXLIIYNVHSIUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-15(2,3)20-12-11(9-16-20)13(21)19-14(18-12)17-10-7-5-4-6-8-10/h4-5,9-10H,6-8H2,1-3H3,(H2,17,18,19,21).
What are the key properties of 1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 287.37 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137275475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).