3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one

C12H9ClN4OS — CID 103054670

IUPAC3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(Cc3cnc(Cl)cn3)cnc12
InChIInChI=1S/C12H9ClN4OS/c1-7-5-19-11-10(7)16-6-17(12(11)18)4-8-2-15-9(13)3-14-8/h2-3,5-6H,4H2,1H3
InChIKeyBMVLPXGUIGNBNS-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.26
Rot. Bonds2

About 3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one

3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 103054670) has the molecular formula C12H9ClN4OS and a molecular weight of 292.75 g/mol. Its IUPAC name is 3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID103054670
Molecular FormulaC12H9ClN4OS
Molecular Weight292.75 g/mol
Exact Mass292.02
IUPAC Name3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(Cc3cnc(Cl)cn3)cnc12
InChIInChI=1S/C12H9ClN4OS/c1-7-5-19-11-10(7)16-6-17(12(11)18)4-8-2-15-9(13)3-14-8/h2-3,5-6H,4H2,1H3
InChIKeyBMVLPXGUIGNBNS-UHFFFAOYSA-N
XLogP2.26
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-chlorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39804649
3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685639
7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 102685489
3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685812
3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685617
3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685652
3-(4-chlorobutyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685321
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
7-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685782
7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 102685676
7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 146130098
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685671

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one (CID 103054670) is 3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)n(Cc3cnc(Cl)cn3)cnc12.
What is the InChIKey of 3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is BMVLPXGUIGNBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4OS/c1-7-5-19-11-10(7)16-6-17(12(11)18)4-8-2-15-9(13)3-14-8/h2-3,5-6H,4H2,1H3.
What are the key properties of 3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 292.75 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 103054670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).