N-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

C12H17N5O2S — CID 46694718

IUPACN-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCOCC(C)NC(=O)CSc1ncnc2c1cnn2C
InChIInChI=1S/C12H17N5O2S/c1-8(5-19-3)16-10(18)6-20-12-9-4-15-17(2)11(9)13-7-14-12/h4,7-8H,5-6H2,1-3H3,(H,16,18)
InChIKeyFTPIKERZMPMTNW-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.61
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

N-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 46694718) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID46694718
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCOCC(C)NC(=O)CSc1ncnc2c1cnn2C
InChIInChI=1S/C12H17N5O2S/c1-8(5-19-3)16-10(18)6-20-12-9-4-15-17(2)11(9)13-7-14-12/h4,7-8H,5-6H2,1-3H3,(H,16,18)
InChIKeyFTPIKERZMPMTNW-UHFFFAOYSA-N
XLogP0.61
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetate
CID 42103957
N-[(1R)-1-(furan-2-yl)ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42106676
N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42104675
N-[(1R)-3-methyl-1-phenylbutyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 51489927
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 51319810
2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 17442118
methyl 4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]benzoate
CID 42103959
N-(9,10-dioxoanthracen-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42104214
1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 18141128
N'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide
CID 17442210
6-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304778
N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40704801

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (CID 46694718) is N-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is COCC(C)NC(=O)CSc1ncnc2c1cnn2C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is FTPIKERZMPMTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-8(5-19-3)16-10(18)6-20-12-9-4-15-17(2)11(9)13-7-14-12/h4,7-8H,5-6H2,1-3H3,(H,16,18).
What are the key properties of N-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
N-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 295.37 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 46694718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).