5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C13H15N5O2 — CID 62567120

IUPAC5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CCNCc3ccco3)cnc21
InChIInChI=1S/C13H15N5O2/c1-17-12-11(8-16-17)13(19)18(9-15-12)5-4-14-7-10-3-2-6-20-10/h2-3,6,8-9,14H,4-5,7H2,1H3
InChIKeyLGKSVFIKRYTVSE-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.51
Rot. Bonds5

About 5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 62567120) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID62567120
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CCNCc3ccco3)cnc21
InChIInChI=1S/C13H15N5O2/c1-17-12-11(8-16-17)13(19)18(9-15-12)5-4-14-7-10-3-2-6-20-10/h2-3,6,8-9,14H,4-5,7H2,1H3
InChIKeyLGKSVFIKRYTVSE-UHFFFAOYSA-N
XLogP0.51
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 62565244
5-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62564856
5-[2-(butylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62565634
3-[2-(furan-2-ylmethylamino)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 62564089
N-benzyl-N-(furan-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 34907563
3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685535
5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 55088277
2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 55023371
5-[2-(4-chloroanilino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62566016
1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 62567717
2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one
CID 62562619
1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
CID 163346905

Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 62567120) is 5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n(CCNCc3ccco3)cnc21.
What is the InChIKey of 5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LGKSVFIKRYTVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-17-12-11(8-16-17)13(19)18(9-15-12)5-4-14-7-10-3-2-6-20-10/h2-3,6,8-9,14H,4-5,7H2,1H3.
What are the key properties of 5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 273.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 62567120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).