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

C14H17Cl2N5OS — CID 136603384

IUPAC6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-pyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
SMILESCc1[nH]ncc1-c1cc2nc([C@@H]3CCCN3)[nH]c(=O)c2s1.Cl.Cl
InChIInChI=1S/C14H15N5OS.2ClH/c1-7-8(6-16-19-7)11-5-10-12(21-11)14(20)18-13(17-10)9-3-2-4-15-9;;/h5-6,9,15H,2-4H2,1H3,(H,16,19)(H,17,18,20);2*1H/t9-;;/m0../s1
InChIKeyWEESICLYQYQKNO-WWPIYYJJSA-N
MW374.30 g/mol
LogP2.95
Rot. Bonds2

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

6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-pyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride (PubChem CID 136603384) has the molecular formula C14H17Cl2N5OS and a molecular weight of 374.30 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-pyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride.

Molecular Properties

Compound Name6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-pyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
PubChem CID136603384
Molecular FormulaC14H17Cl2N5OS
Molecular Weight374.30 g/mol
Exact Mass373.05
IUPAC Name6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-pyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
SMILESCc1[nH]ncc1-c1cc2nc([C@@H]3CCCN3)[nH]c(=O)c2s1.Cl.Cl
InChIInChI=1S/C14H15N5OS.2ClH/c1-7-8(6-16-19-7)11-5-10-12(21-11)14(20)18-13(17-10)9-3-2-4-15-9;;/h5-6,9,15H,2-4H2,1H3,(H,16,19)(H,17,18,20);2*1H/t9-;;/m0../s1
InChIKeyWEESICLYQYQKNO-WWPIYYJJSA-N
XLogP2.95
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-pyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

Simurosertib
CID 135564531
Cdc7-IN-7c
CID 136333907
6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-piperidin-2-yl]thieno[3,2-d]pyrimidin-4(3H)-one dihydrochloride
CID 136333957
6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]thieno[3,2-d]pyrimidin-4(3H)-one dihydrochloride
CID 136333959
(R)-Simurosertib
CID 136443810
6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-piperidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
CID 136603177
2-[(2S)-piperidin-2-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
CID 136603225
6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S,3S)-3-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
CID 136603266
2-(7-azabicyclo[2.2.1]heptan-1-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
CID 136603469
2-(2-azabicyclo[2.1.1]hexan-1-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
CID 155512073
1,2,2-trimethyl-6-(5-methyl-1H-pyrazol-4-yl)-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
CID 66743321
6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
CID 66743877

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-pyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride?
The IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-pyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride (CID 136603384) is 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-pyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride.
What is the SMILES notation for 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-pyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride?
The canonical SMILES for 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-pyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride is Cc1[nH]ncc1-c1cc2nc([C@@H]3CCCN3)[nH]c(=O)c2s1.Cl.Cl.
What is the InChIKey of 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-pyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride?
The InChIKey is WEESICLYQYQKNO-WWPIYYJJSA-N. The full InChI is InChI=1S/C14H15N5OS.2ClH/c1-7-8(6-16-19-7)11-5-10-12(21-11)14(20)18-13(17-10)9-3-2-4-15-9;;/h5-6,9,15H,2-4H2,1H3,(H,16,19)(H,17,18,20);2*1H/t9-;;/m0../s1.
What are the key properties of 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-pyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride?
6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-pyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride has a molecular weight of 374.30 g/mol, XLogP of 2.95, 2 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-[(2S)-pyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride is sourced from PubChem (CID 136603384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).