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

C15H19Cl2N5OS — CID 136603177

IUPAC6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-piperidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
SMILESCc1[nH]ncc1-c1cc2nc([C@H]3CCCCN3)[nH]c(=O)c2s1.Cl.Cl
InChIInChI=1S/C15H17N5OS.2ClH/c1-8-9(7-17-20-8)12-6-11-13(22-12)15(21)19-14(18-11)10-4-2-3-5-16-10;;/h6-7,10,16H,2-5H2,1H3,(H,17,20)(H,18,19,21);2*1H/t10-;;/m1../s1
InChIKeyKCGPTAZDEINSOJ-YQFADDPSSA-N
MW388.32 g/mol
LogP3.34
Rot. Bonds2

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

6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-piperidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride (PubChem CID 136603177) has the molecular formula C15H19Cl2N5OS and a molecular weight of 388.32 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-piperidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride.

Molecular Properties

Compound Name6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-piperidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
PubChem CID136603177
Molecular FormulaC15H19Cl2N5OS
Molecular Weight388.32 g/mol
Exact Mass387.07
IUPAC Name6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-piperidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
SMILESCc1[nH]ncc1-c1cc2nc([C@H]3CCCCN3)[nH]c(=O)c2s1.Cl.Cl
InChIInChI=1S/C15H17N5OS.2ClH/c1-8-9(7-17-20-8)12-6-11-13(22-12)15(21)19-14(18-11)10-4-2-3-5-16-10;;/h6-7,10,16H,2-5H2,1H3,(H,17,20)(H,18,19,21);2*1H/t10-;;/m1../s1
InChIKeyKCGPTAZDEINSOJ-YQFADDPSSA-N
XLogP3.34
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 53.34
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-[(2R)-piperidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride?
The IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-piperidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride (CID 136603177) is 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-piperidin-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-[(2R)-piperidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride?
The canonical SMILES for 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-piperidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride is Cc1[nH]ncc1-c1cc2nc([C@H]3CCCCN3)[nH]c(=O)c2s1.Cl.Cl.
What is the InChIKey of 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-piperidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride?
The InChIKey is KCGPTAZDEINSOJ-YQFADDPSSA-N. The full InChI is InChI=1S/C15H17N5OS.2ClH/c1-8-9(7-17-20-8)12-6-11-13(22-12)15(21)19-14(18-11)10-4-2-3-5-16-10;;/h6-7,10,16H,2-5H2,1H3,(H,17,20)(H,18,19,21);2*1H/t10-;;/m1../s1.
What are the key properties of 6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-piperidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride?
6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-piperidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride has a molecular weight of 388.32 g/mol, XLogP of 3.34, 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-[(2R)-piperidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride is sourced from PubChem (CID 136603177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).