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

C12H19N5O — CID 135965587

IUPAC1-methyl-6-[[methyl(2-methylpropyl)amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)CN(C)Cc1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C12H19N5O/c1-8(2)6-16(3)7-10-14-11-9(12(18)15-10)5-13-17(11)4/h5,8H,6-7H2,1-4H3,(H,14,15,18)
InChIKeyXMSJOPDSPHRECI-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.74
Rot. Bonds4

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

1-methyl-6-[[methyl(2-methylpropyl)amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135965587) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-methyl-6-[[methyl(2-methylpropyl)amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-[[methyl(2-methylpropyl)amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135965587
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-methyl-6-[[methyl(2-methylpropyl)amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)CN(C)Cc1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C12H19N5O/c1-8(2)6-16(3)7-10-14-11-9(12(18)15-10)5-13-17(11)4/h5,8H,6-7H2,1-4H3,(H,14,15,18)
InChIKeyXMSJOPDSPHRECI-UHFFFAOYSA-N
XLogP0.74
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(Cyclohexylmethyl)-1-(1-ethylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135422930
5-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 265696
6-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CID 135408748
1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135876286
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
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N,N-dimethylpropanamide
CID 155523485
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide
CID 155548362
1-Butyryl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135775438
1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135400935

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[methyl(2-methylpropyl)amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-[[methyl(2-methylpropyl)amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135965587) is 1-methyl-6-[[methyl(2-methylpropyl)amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-[[methyl(2-methylpropyl)amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-[[methyl(2-methylpropyl)amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)CN(C)Cc1nc2c(cnn2C)c(=O)[nH]1.
What is the InChIKey of 1-methyl-6-[[methyl(2-methylpropyl)amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XMSJOPDSPHRECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8(2)6-16(3)7-10-14-11-9(12(18)15-10)5-13-17(11)4/h5,8H,6-7H2,1-4H3,(H,14,15,18).
What are the key properties of 1-methyl-6-[[methyl(2-methylpropyl)amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-[[methyl(2-methylpropyl)amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 249.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[methyl(2-methylpropyl)amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135965587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).