6-(5-methyl-1H-pyrazol-4-yl)-2-(2-propylpyrrolidin-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one

C17H21N5OS — CID 136603300

IUPAC6-(5-methyl-1H-pyrazol-4-yl)-2-(2-propylpyrrolidin-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCCC1(c2nc3cc(-c4cn[nH]c4C)sc3c(=O)[nH]2)CCCN1
InChIInChI=1S/C17H21N5OS/c1-3-5-17(6-4-7-18-17)16-20-12-8-13(11-9-19-22-10(11)2)24-14(12)15(23)21-16/h8-9,18H,3-7H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyJTAIHYBRJYTKRJ-UHFFFAOYSA-N
MW343.46 g/mol
LogP3.06
Rot. Bonds4

About 6-(5-methyl-1H-pyrazol-4-yl)-2-(2-propylpyrrolidin-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one

6-(5-methyl-1H-pyrazol-4-yl)-2-(2-propylpyrrolidin-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136603300) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-4-yl)-2-(2-propylpyrrolidin-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(5-methyl-1H-pyrazol-4-yl)-2-(2-propylpyrrolidin-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136603300
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name6-(5-methyl-1H-pyrazol-4-yl)-2-(2-propylpyrrolidin-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCCC1(c2nc3cc(-c4cn[nH]c4C)sc3c(=O)[nH]2)CCCN1
InChIInChI=1S/C17H21N5OS/c1-3-5-17(6-4-7-18-17)16-20-12-8-13(11-9-19-22-10(11)2)24-14(12)15(23)21-16/h8-9,18H,3-7H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyJTAIHYBRJYTKRJ-UHFFFAOYSA-N
XLogP3.06
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-2-(2-propylpyrrolidin-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-2-(2-propylpyrrolidin-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 136603300) is 6-(5-methyl-1H-pyrazol-4-yl)-2-(2-propylpyrrolidin-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(5-methyl-1H-pyrazol-4-yl)-2-(2-propylpyrrolidin-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(5-methyl-1H-pyrazol-4-yl)-2-(2-propylpyrrolidin-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one is CCCC1(c2nc3cc(-c4cn[nH]c4C)sc3c(=O)[nH]2)CCCN1.
What is the InChIKey of 6-(5-methyl-1H-pyrazol-4-yl)-2-(2-propylpyrrolidin-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is JTAIHYBRJYTKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-3-5-17(6-4-7-18-17)16-20-12-8-13(11-9-19-22-10(11)2)24-14(12)15(23)21-16/h8-9,18H,3-7H2,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of 6-(5-methyl-1H-pyrazol-4-yl)-2-(2-propylpyrrolidin-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
6-(5-methyl-1H-pyrazol-4-yl)-2-(2-propylpyrrolidin-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 343.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1H-pyrazol-4-yl)-2-(2-propylpyrrolidin-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136603300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).