N,N-diethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide

C13H19N5OS — CID 47145992

IUPACN,N-diethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
SMILESCCN(CC)C(=O)C(C)Sc1ncnc2c1cnn2C
InChIInChI=1S/C13H19N5OS/c1-5-18(6-2)13(19)9(3)20-12-10-7-16-17(4)11(10)14-8-15-12/h7-9H,5-6H2,1-4H3
InChIKeyWKDJWGWJWHCBKK-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.71
Rot. Bonds5

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

N,N-diethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide (PubChem CID 47145992) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N,N-diethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
PubChem CID47145992
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN,N-diethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
SMILESCCN(CC)C(=O)C(C)Sc1ncnc2c1cnn2C
InChIInChI=1S/C13H19N5OS/c1-5-18(6-2)13(19)9(3)20-12-10-7-16-17(4)11(10)14-8-15-12/h7-9H,5-6H2,1-4H3
InChIKeyWKDJWGWJWHCBKK-UHFFFAOYSA-N
XLogP1.71
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)propanamide
CID 51319899
1-(4-ethylphenyl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 51319758
1-(4-fluorophenyl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 51319792
N-(4-chlorophenyl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 51319780
N-benzyl-N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 18141119
N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42104675
2,2-dimethyl-N-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanoyl]phenyl]propanamide
CID 51319824
methyl 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetate
CID 42103957
N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 17458285
N-[(1R)-1-(furan-2-yl)ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42106676
N-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 46694718
methyl 2,4-dimethyl-5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate
CID 46694746

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of N,N-diethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide (CID 47145992) is N,N-diethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for N,N-diethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for N,N-diethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide is CCN(CC)C(=O)C(C)Sc1ncnc2c1cnn2C.
What is the InChIKey of N,N-diethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is WKDJWGWJWHCBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-5-18(6-2)13(19)9(3)20-12-10-7-16-17(4)11(10)14-8-15-12/h7-9H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide?
N,N-diethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 293.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 47145992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).