1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one

C13H19N5O2 — CID 62567717

IUPAC1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CCNCC3CCOC3)cnc21
InChIInChI=1S/C13H19N5O2/c1-17-12-11(7-16-17)13(19)18(9-15-12)4-3-14-6-10-2-5-20-8-10/h7,9-10,14H,2-6,8H2,1H3
InChIKeyCQNDJBSDQBRYON-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.24
Rot. Bonds5

About 1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 62567717) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID62567717
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CCNCC3CCOC3)cnc21
InChIInChI=1S/C13H19N5O2/c1-17-12-11(7-16-17)13(19)18(9-15-12)4-3-14-6-10-2-5-20-8-10/h7,9-10,14H,2-6,8H2,1H3
InChIKeyCQNDJBSDQBRYON-UHFFFAOYSA-N
XLogP-0.24
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.24
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 62567717) is 1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n(CCNCC3CCOC3)cnc21.
What is the InChIKey of 1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CQNDJBSDQBRYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-17-12-11(7-16-17)13(19)18(9-15-12)4-3-14-6-10-2-5-20-8-10/h7,9-10,14H,2-6,8H2,1H3.
What are the key properties of 1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 277.33 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 62567717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).