6-[[3-methoxypropyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C12H19N5O2 — CID 135965570

IUPAC6-[[3-methoxypropyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOCCCN(C)Cc1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C12H19N5O2/c1-16(5-4-6-19-3)8-10-14-11-9(12(18)15-10)7-13-17(11)2/h7H,4-6,8H2,1-3H3,(H,14,15,18)
InChIKeyPYRJKPCIEHDBLW-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.12
Rot. Bonds6

About 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[3-methoxypropyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135965570) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[3-methoxypropyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135965570
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name6-[[3-methoxypropyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOCCCN(C)Cc1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C12H19N5O2/c1-16(5-4-6-19-3)8-10-14-11-9(12(18)15-10)7-13-17(11)2/h7H,4-6,8H2,1-3H3,(H,14,15,18)
InChIKeyPYRJKPCIEHDBLW-UHFFFAOYSA-N
XLogP0.12
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.12
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

1,5-Dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 219764
1-Methyl-1,5-dihydropyrazolo(3,4-d)pyrimidin-4-one
CID 135439714
6-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CID 135408748
1,6-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135457239
6-[(1R)-1-(azetidin-1-yl)ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136236306
6-[(3S,4S)-4-methyl-1-(2-methylpropyl)pyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 145983923
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-Butyryl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135775438
1-cyclopentyl-6-[(1R)-1-(3-fluoropyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136236307
1-cyclopentyl-6-[(1R)-1-piperidin-1-ylethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136236308
1-Propanoyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135412639
1-methyl-6-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136051657

Frequently Asked Questions

What is the IUPAC name of 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135965570) is 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is COCCCN(C)Cc1nc2c(cnn2C)c(=O)[nH]1.
What is the InChIKey of 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PYRJKPCIEHDBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-16(5-4-6-19-3)8-10-14-11-9(12(18)15-10)7-13-17(11)2/h7H,4-6,8H2,1-3H3,(H,14,15,18).
What are the key properties of 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[3-methoxypropyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 265.32 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-methoxypropyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135965570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).