1-tert-butyl-6-[2-ethoxyethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C14H23N5O2 — CID 137257653

IUPAC1-tert-butyl-6-[2-ethoxyethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCOCCN(C)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C14H23N5O2/c1-6-21-8-7-18(5)13-16-11-10(12(20)17-13)9-15-19(11)14(2,3)4/h9H,6-8H2,1-5H3,(H,16,17,20)
InChIKeyJAHIUDORPLQUPG-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.35
Rot. Bonds5

About 1-tert-butyl-6-[2-ethoxyethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-[2-ethoxyethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137257653) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-tert-butyl-6-[2-ethoxyethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-[2-ethoxyethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137257653
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-tert-butyl-6-[2-ethoxyethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCOCCN(C)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C14H23N5O2/c1-6-21-8-7-18(5)13-16-11-10(12(20)17-13)9-15-19(11)14(2,3)4/h9H,6-8H2,1-5H3,(H,16,17,20)
InChIKeyJAHIUDORPLQUPG-UHFFFAOYSA-N
XLogP1.35
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Butyryl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135775438
6-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CID 135408748
1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408778
1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135876286
1-cyclopentyl-6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155553114
6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166629189
1-cyclopentyl-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166629714
1-cyclopentyl-6-[[(2R)-5-morpholin-4-yl-3-oxopentan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166635565
1-Propanoyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135412639
1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135535880
1-cyclopentyl-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166629155
1-tert-butyl-6-chloro-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135988482

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[2-ethoxyethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-[2-ethoxyethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137257653) is 1-tert-butyl-6-[2-ethoxyethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-[2-ethoxyethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-[2-ethoxyethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCOCCN(C)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1.
What is the InChIKey of 1-tert-butyl-6-[2-ethoxyethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JAHIUDORPLQUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-6-21-8-7-18(5)13-16-11-10(12(20)17-13)9-15-19(11)14(2,3)4/h9H,6-8H2,1-5H3,(H,16,17,20).
What are the key properties of 1-tert-butyl-6-[2-ethoxyethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-[2-ethoxyethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 293.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-[2-ethoxyethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137257653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).