6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one

C15H19N5OS — CID 95728003

IUPAC6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1ccsc1[C@@H](Cn1cnc2cn(C)nc2c1=O)N(C)C
InChIInChI=1S/C15H19N5OS/c1-10-5-6-22-14(10)12(18(2)3)8-20-9-16-11-7-19(4)17-13(11)15(20)21/h5-7,9,12H,8H2,1-4H3/t12-/m1/s1
InChIKeyNYVOKCVWTJABRK-GFCCVEGCSA-N
MW317.42 g/mol
LogP1.80
Rot. Bonds4

About 6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one

6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 95728003) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one
PubChem CID95728003
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1ccsc1[C@@H](Cn1cnc2cn(C)nc2c1=O)N(C)C
InChIInChI=1S/C15H19N5OS/c1-10-5-6-22-14(10)12(18(2)3)8-20-9-16-11-7-19(4)17-13(11)15(20)21/h5-7,9,12H,8H2,1-4H3/t12-/m1/s1
InChIKeyNYVOKCVWTJABRK-GFCCVEGCSA-N
XLogP1.80
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one (CID 95728003) is 6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one is Cc1ccsc1[C@@H](Cn1cnc2cn(C)nc2c1=O)N(C)C.
What is the InChIKey of 6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is NYVOKCVWTJABRK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-10-5-6-22-14(10)12(18(2)3)8-20-9-16-11-7-19(4)17-13(11)15(20)21/h5-7,9,12H,8H2,1-4H3/t12-/m1/s1.
What are the key properties of 6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one?
6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 317.42 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 95728003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).