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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Related Compounds

6-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-prop-2-enylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136820682
6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137303346
6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135965556
1-tert-butyl-6-[2-ethoxyethyl(methyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137257653
1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136663654
6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 163926898
1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135455617
6-[benzyl(propyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137265013
6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136820584
1-methyl-6-[2-(pentan-3-ylamino)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136551865
2-(diethylamino)-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135698526
6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 138042244

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).