6-[ethyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C14H22N6O — CID 136551855

IUPAC6-[ethyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC=CCN(C)CCN(CC)c1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C14H22N6O/c1-5-7-18(3)8-9-20(6-2)14-16-12-11(13(21)17-14)10-15-19(12)4/h5,10H,1,6-9H2,2-4H3,(H,16,17,21)
InChIKeyAITFLEHHJGZVDQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.60
Rot. Bonds7

About 6-[ethyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[ethyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136551855) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-[ethyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[ethyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136551855
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name6-[ethyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC=CCN(C)CCN(CC)c1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C14H22N6O/c1-5-7-18(3)8-9-20(6-2)14-16-12-11(13(21)17-14)10-15-19(12)4/h5,10H,1,6-9H2,2-4H3,(H,16,17,21)
InChIKeyAITFLEHHJGZVDQ-UHFFFAOYSA-N
XLogP0.60
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[ethyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136551855) is 6-[ethyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[ethyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[ethyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is C=CCN(C)CCN(CC)c1nc2c(cnn2C)c(=O)[nH]1.
What is the InChIKey of 6-[ethyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AITFLEHHJGZVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-5-7-18(3)8-9-20(6-2)14-16-12-11(13(21)17-14)10-15-19(12)4/h5,10H,1,6-9H2,2-4H3,(H,16,17,21).
What are the key properties of 6-[ethyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[ethyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 290.37 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136551855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).