2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)propanamide

C15H23N5OS — CID 51319899

IUPAC2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)propanamide
SMILESCC(Sc1ncnc2c1cnn2C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H23N5OS/c1-9(2)20(10(3)4)15(21)11(5)22-14-12-7-18-19(6)13(12)16-8-17-14/h7-11H,1-6H3
InChIKeyQKFNZKMFJSJIOW-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.49
Rot. Bonds5

About 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)propanamide

2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)propanamide (PubChem CID 51319899) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)propanamide
PubChem CID51319899
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)propanamide
SMILESCC(Sc1ncnc2c1cnn2C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H23N5OS/c1-9(2)20(10(3)4)15(21)11(5)22-14-12-7-18-19(6)13(12)16-8-17-14/h7-11H,1-6H3
InChIKeyQKFNZKMFJSJIOW-UHFFFAOYSA-N
XLogP2.49
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 47145992
1-(4-fluorophenyl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 51319792
1-(4-ethylphenyl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 51319758
N-(4-chlorophenyl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 51319780
2,2-dimethyl-N-[4-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanoyl]phenyl]propanamide
CID 51319824
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 51319890
methyl 2,4-dimethyl-5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate
CID 46694746
methyl 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetate
CID 42103957
N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42104675
3-methyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 42960216
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)propanamide (CID 51319899) is 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)propanamide is CC(Sc1ncnc2c1cnn2C)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)propanamide?
The InChIKey is QKFNZKMFJSJIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-9(2)20(10(3)4)15(21)11(5)22-14-12-7-18-19(6)13(12)16-8-17-14/h7-11H,1-6H3.
What are the key properties of 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)propanamide?
2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)propanamide has a molecular weight of 321.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 51319899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).