6-[[2-ethyl-N-(1-hydroxypropan-2-yl)-6-methylanilino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H25N5O2 — CID 167907223

IUPAC6-[[2-ethyl-N-(1-hydroxypropan-2-yl)-6-methylanilino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1cccc(C)c1N(Cc1nc2c(cnn2C)c(=O)[nH]1)C(C)CO
InChIInChI=1S/C19H25N5O2/c1-5-14-8-6-7-12(2)17(14)24(13(3)11-25)10-16-21-18-15(19(26)22-16)9-20-23(18)4/h6-9,13,25H,5,10-11H2,1-4H3,(H,21,22,26)
InChIKeySVKCRNPVGFJXPX-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.91
Rot. Bonds6

About 6-[[2-ethyl-N-(1-hydroxypropan-2-yl)-6-methylanilino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[2-ethyl-N-(1-hydroxypropan-2-yl)-6-methylanilino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 167907223) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-[[2-ethyl-N-(1-hydroxypropan-2-yl)-6-methylanilino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[2-ethyl-N-(1-hydroxypropan-2-yl)-6-methylanilino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID167907223
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name6-[[2-ethyl-N-(1-hydroxypropan-2-yl)-6-methylanilino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1cccc(C)c1N(Cc1nc2c(cnn2C)c(=O)[nH]1)C(C)CO
InChIInChI=1S/C19H25N5O2/c1-5-14-8-6-7-12(2)17(14)24(13(3)11-25)10-16-21-18-15(19(26)22-16)9-20-23(18)4/h6-9,13,25H,5,10-11H2,1-4H3,(H,21,22,26)
InChIKeySVKCRNPVGFJXPX-UHFFFAOYSA-N
XLogP1.91
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 163926898
6-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135965557
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-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136820584
6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136706970
6-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135965556
1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136661783
1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136731449
6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137303346
N-[2-(methylamino)-2-oxoethyl]-3-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 154850028
6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136698036
6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135908672

Frequently Asked Questions

What is the IUPAC name of 6-[[2-ethyl-N-(1-hydroxypropan-2-yl)-6-methylanilino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[2-ethyl-N-(1-hydroxypropan-2-yl)-6-methylanilino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 167907223) is 6-[[2-ethyl-N-(1-hydroxypropan-2-yl)-6-methylanilino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[2-ethyl-N-(1-hydroxypropan-2-yl)-6-methylanilino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[2-ethyl-N-(1-hydroxypropan-2-yl)-6-methylanilino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCc1cccc(C)c1N(Cc1nc2c(cnn2C)c(=O)[nH]1)C(C)CO.
What is the InChIKey of 6-[[2-ethyl-N-(1-hydroxypropan-2-yl)-6-methylanilino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SVKCRNPVGFJXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-5-14-8-6-7-12(2)17(14)24(13(3)11-25)10-16-21-18-15(19(26)22-16)9-20-23(18)4/h6-9,13,25H,5,10-11H2,1-4H3,(H,21,22,26).
What are the key properties of 6-[[2-ethyl-N-(1-hydroxypropan-2-yl)-6-methylanilino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[2-ethyl-N-(1-hydroxypropan-2-yl)-6-methylanilino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 355.44 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-ethyl-N-(1-hydroxypropan-2-yl)-6-methylanilino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 167907223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).