1-[5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol

C16H19N5OS — CID 91765630

IUPAC1-[5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCc1sc2ncnc(N3CCn4nc(C(C)O)cc4C3)c2c1C
InChIInChI=1S/C16H19N5OS/c1-9-11(3)23-16-14(9)15(17-8-18-16)20-4-5-21-12(7-20)6-13(19-21)10(2)22/h6,8,10,22H,4-5,7H2,1-3H3
InChIKeyCRERMLHFVFNVTH-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.58
Rot. Bonds2

About 1-[5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol

1-[5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (PubChem CID 91765630) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-[5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
PubChem CID91765630
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name1-[5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCc1sc2ncnc(N3CCn4nc(C(C)O)cc4C3)c2c1C
InChIInChI=1S/C16H19N5OS/c1-9-11(3)23-16-14(9)15(17-8-18-16)20-4-5-21-12(7-20)6-13(19-21)10(2)22/h6,8,10,22H,4-5,7H2,1-3H3
InChIKeyCRERMLHFVFNVTH-UHFFFAOYSA-N
XLogP2.58
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The IUPAC name of 1-[5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (CID 91765630) is 1-[5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.
What is the SMILES notation for 1-[5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The canonical SMILES for 1-[5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is Cc1sc2ncnc(N3CCn4nc(C(C)O)cc4C3)c2c1C.
What is the InChIKey of 1-[5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The InChIKey is CRERMLHFVFNVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-9-11(3)23-16-14(9)15(17-8-18-16)20-4-5-21-12(7-20)6-13(19-21)10(2)22/h6,8,10,22H,4-5,7H2,1-3H3.
What are the key properties of 1-[5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
1-[5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol has a molecular weight of 329.43 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is sourced from PubChem (CID 91765630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).