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

C16H19N5OS — CID 136603284

IUPAC2-[(cyclopentylamino)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1[nH]ncc1-c1cc2nc(CNC3CCCC3)[nH]c(=O)c2s1
InChIInChI=1S/C16H19N5OS/c1-9-11(7-18-21-9)13-6-12-15(23-13)16(22)20-14(19-12)8-17-10-4-2-3-5-10/h6-7,10,17H,2-5,8H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyJIHADGLJYNTWQM-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.72
Rot. Bonds4

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

2-[(cyclopentylamino)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136603284) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[(cyclopentylamino)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(cyclopentylamino)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136603284
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name2-[(cyclopentylamino)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1[nH]ncc1-c1cc2nc(CNC3CCCC3)[nH]c(=O)c2s1
InChIInChI=1S/C16H19N5OS/c1-9-11(7-18-21-9)13-6-12-15(23-13)16(22)20-14(19-12)8-17-10-4-2-3-5-10/h6-7,10,17H,2-5,8H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyJIHADGLJYNTWQM-UHFFFAOYSA-N
XLogP2.72
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopentylamino)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[(cyclopentylamino)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 136603284) is 2-[(cyclopentylamino)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(cyclopentylamino)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[(cyclopentylamino)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one is Cc1[nH]ncc1-c1cc2nc(CNC3CCCC3)[nH]c(=O)c2s1.
What is the InChIKey of 2-[(cyclopentylamino)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is JIHADGLJYNTWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-9-11(7-18-21-9)13-6-12-15(23-13)16(22)20-14(19-12)8-17-10-4-2-3-5-10/h6-7,10,17H,2-5,8H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of 2-[(cyclopentylamino)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
2-[(cyclopentylamino)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 329.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopentylamino)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136603284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).